
 RFRP-1 (human)

202206  0  0  0  0  0  0  0  0999 V2000
    1.7431    7.8341    3.4127 C   0  0  0  0  0
    2.5360    7.4166    4.6543 C   0  0  0  0  0
    2.9010    8.6614    5.4678 C   0  0  0  0  0
    1.7123    6.4160    5.4932 C   0  0  0  0  0
    2.5405    5.6866    6.5713 C   0  0  0  0  0
    1.9273    5.8707    7.9702 C   0  0  0  0  0
    2.3602    6.7682    8.7077 O   0  0  0  0  0
    0.8302    5.2394    8.4441 N   0  0  0  0  0
   -0.2027    4.3510    7.9030 C   0  0  0  0  0
   -0.9661    4.9252    6.7033 C   0  0  0  0  0
   -2.4193    4.4285    6.6840 C   0  0  0  0  0
   -3.2562    5.1313    5.6166 C   0  0  0  0  0
   -4.6397    4.6755    5.6989 N   0  0  0  0  0
   -5.4535    5.2303    6.5145 C   0  0  0  0  0
   -5.2666    6.2404    7.3920 N   0  0  0  0  0
   -6.7255    4.7850    6.6006 N   0  0  0  0  0
    0.3455    2.9321    7.6849 C   0  0  0  0  0
    0.8692    2.5980    6.6150 O   0  0  0  0  0
    0.3658    2.0249    8.7089 N   0  0  0  0  0
   -0.2782    2.0288   10.0403 C   0  0  0  0  0
    0.1164    3.1861   10.9704 C   0  0  0  0  0
   -0.2783    2.9347   12.4099 C   0  0  0  0  0
    0.5792    2.2519   13.2808 C   0  0  0  0  0
    0.1982    2.0168   14.6035 C   0  0  0  0  0
   -1.0410    2.4580   15.0660 C   0  0  0  0  0
   -1.9012    3.1377   14.2078 C   0  0  0  0  0
   -1.5224    3.3755   12.8868 C   0  0  0  0  0
   -1.8013    1.8998    9.8479 C   0  0  0  0  0
   -2.5662    2.8560    9.7675 O   0  0  0  0  0
   -2.2614    0.6331    9.6175 N   0  0  0  0  0
    2.8751    4.3371    6.1266 N   0  0  0  0  0
    4.1268    3.8052    6.3665 C   0  0  0  0  0
    4.8117    4.1478    7.3269 O   0  0  0  0  0
    4.6517    2.8533    5.2473 C   0  0  0  0  0
    4.6933    3.6173    3.9194 C   0  0  0  0  0
    5.9325    4.5017    4.0800 C   0  0  0  0  0
    6.8893    3.6544    4.9154 C   0  0  0  0  0
    6.0834    2.5558    5.4336 N   0  0  0  0  0
    6.7155    1.4371    5.9120 C   0  0  0  0  0
    7.9352    1.4212    6.1336 O   0  0  0  0  0
    5.9705    0.0941    6.0158 C   0  0  0  0  0
    4.9465    0.0405    7.1520 C   0  0  0  0  0
    4.4685   -1.3887    7.4995 C   0  0  0  0  0
    5.6067   -2.3095    7.9502 C   0  0  0  0  0
    3.4074   -1.3224    8.6012 C   0  0  0  0  0
    5.4278   -0.2663    4.7061 N   0  0  0  0  0
    6.1038   -0.5883    3.5620 C   0  0  0  0  0
    5.4336   -0.7672    2.5399 O   0  0  0  0  0
    7.6496   -0.7536    3.5434 C   0  0  0  0  0
    8.0111   -2.0915    4.1776 C   0  0  0  0  0
    9.3162   -2.0702    4.9297 C   0  0  0  0  0
   10.2738   -2.7544    4.5780 O   0  0  0  0  0
    9.4060   -1.2853    6.0373 N   0  0  0  0  0
    8.0601   -0.6798    2.1271 N   0  0  0  0  0
    9.1739   -0.2576    1.4744 C   0  0  0  0  0
    9.1394   -0.2880    0.2381 O   0  0  0  0  0
   10.4963    0.1288    2.1745 C   0  0  0  0  0
   10.3578    1.0613    3.3652 C   0  0  0  0  0
   11.2629   -1.0840    2.4618 N   0  0  0  0  0
   12.4352   -1.5172    1.9152 C   0  0  0  0  0
   12.6074   -2.7332    1.7925 O   0  0  0  0  0
   13.5464   -0.5487    1.4655 C   0  0  0  0  0
   13.3409   -0.0844    0.0181 C   0  0  0  0  0
   14.6442    0.3779   -0.5962 C   0  0  0  0  0
   15.4636   -0.5314   -1.2802 C   0  0  0  0  0
   16.6880   -0.1203   -1.8084 C   0  0  0  0  0
   17.1067    1.1995   -1.6547 C   0  0  0  0  0
   16.3013    2.1101   -0.9741 C   0  0  0  0  0
   15.0754    1.7027   -0.4464 C   0  0  0  0  0
   13.6601    0.5612    2.4133 N   0  0  0  0  0
   14.2278    0.5679    3.6516 C   0  0  0  0  0
   13.8532    1.4500    4.4308 O   0  0  0  0  0
   15.3622   -0.3919    4.0533 C   0  0  0  0  0
   14.9856   -1.8734    4.0818 C   0  0  0  0  0
   15.7542   -2.5179    5.1038 O   0  0  0  0  0
   16.5300   -0.0934    3.2147 N   0  0  0  0  0
   17.5252    0.8151    3.4339 C   0  0  0  0  0
   18.1113    1.2618    2.4428 O   0  0  0  0  0
   17.9607    1.2591    4.8555 C   0  0  0  0  0
   16.8622    2.0716    5.5648 C   0  0  0  0  0
   17.3903    3.1415    6.4586 C   0  0  0  0  0
   17.5759    4.4931    6.2596 C   0  0  0  0  0
   18.0893    5.0856    7.3822 N   0  0  0  0  0
   18.2024    4.1198    8.2649 C   0  0  0  0  0
   17.7867    2.9216    7.7557 N   0  0  0  0  0
   18.4001    0.0644    5.6015 N   0  0  0  0  0
   19.5980   -0.5596    5.3457 C   0  0  0  0  0
   19.5421   -1.7266    4.9470 O   0  0  0  0  0
   20.9758    0.1439    5.4845 C   0  0  0  0  0
   21.3138    1.0425    4.2938 C   0  0  0  0  0
   21.6225    2.4202    4.8762 C   0  0  0  0  0
   21.0760    2.3987    6.2903 C   0  0  0  0  0
   21.0766    1.0014    6.6642 N   0  0  0  0  0
   21.1926    0.6503    7.9920 C   0  0  0  0  0
   20.8848    1.4595    8.8761 O   0  0  0  0  0
   21.8678   -0.6895    8.4017 C   0  0  0  0  0
   21.1208   -1.9749    8.0443 C   0  0  0  0  0
   21.7444   -3.1959    8.7288 C   0  0  0  0  0
   20.7596   -4.6902    8.3808 S   0  0  0  0  0
   21.8408   -5.9130    9.1608 C   0  0  0  0  0
   23.2734   -0.7018    7.9340 N   0  0  0  0  0
    1.5234    6.9661    2.7819 H   0  0  0  0  0
    2.3121    8.5483    2.8082 H   0  0  0  0  0
    0.7918    8.3033    3.6867 H   0  0  0  0  0
    3.4600    6.9317    4.3164 H   0  0  0  0  0
    2.0033    9.1659    5.8422 H   0  0  0  0  0
    3.4564    9.3775    4.8530 H   0  0  0  0  0
    3.5288    8.4117    6.3279 H   0  0  0  0  0
    1.2685    5.6800    4.8113 H   0  0  0  0  0
    0.8824    6.9674    5.9491 H   0  0  0  0  0
    3.5118    6.1929    6.6539 H   0  0  0  0  0
    0.6161    5.6276    9.3561 H   0  0  0  0  0
   -0.9313    4.3033    8.7096 H   0  0  0  0  0
   -0.4861    4.6570    5.7580 H   0  0  0  0  0
   -0.9865    6.0190    6.7734 H   0  0  0  0  0
   -2.8768    4.6064    7.6646 H   0  0  0  0  0
   -2.4420    3.3442    6.5203 H   0  0  0  0  0
   -2.8703    4.8751    4.6232 H   0  0  0  0  0
   -3.1775    6.2214    5.6975 H   0  0  0  0  0
   -4.4273    6.7848    7.2500 H   0  0  0  0  0
   -6.0815    6.8361    7.4755 H   0  0  0  0  0
   -6.8227    3.9285    6.0636 H   0  0  0  0  0
   -7.0126    4.6364    7.5604 H   0  0  0  0  0
    0.7417    1.1352    8.4066 H   0  0  0  0  0
    0.0664    1.0950   10.5056 H   0  0  0  0  0
   -0.3430    4.1321   10.6748 H   0  0  0  0  0
    1.2005    3.3507   10.9219 H   0  0  0  0  0
    1.5549    1.9099   12.9428 H   0  0  0  0  0
    0.8718    1.4950   15.2787 H   0  0  0  0  0
   -1.3335    2.2786   16.0973 H   0  0  0  0  0
   -2.8658    3.4878   14.5668 H   0  0  0  0  0
   -2.2082    3.9125   12.2326 H   0  0  0  0  0
   -1.7221   -0.1932    9.8345 H   0  0  0  0  0
   -3.2630    0.5260    9.5098 H   0  0  0  0  0
    2.1372    3.7163    5.7946 H   0  0  0  0  0
    4.0292    1.9611    5.2014 H   0  0  0  0  0
    3.7974    4.2036    3.6984 H   0  0  0  0  0
    4.8523    2.9151    3.0912 H   0  0  0  0  0
    6.3656    4.7913    3.1182 H   0  0  0  0  0
    5.6783    5.4221    4.6190 H   0  0  0  0  0
    7.7054    3.2535    4.3051 H   0  0  0  0  0
    7.3177    4.2196    5.7495 H   0  0  0  0  0
    6.7491   -0.6379    6.2314 H   0  0  0  0  0
    4.0677    0.6441    6.9033 H   0  0  0  0  0
    5.3860    0.4981    8.0483 H   0  0  0  0  0
    4.0015   -1.8327    6.6115 H   0  0  0  0  0
    6.1934   -1.8533    8.7545 H   0  0  0  0  0
    6.2840   -2.5451    7.1248 H   0  0  0  0  0
    5.2151   -3.2646    8.3170 H   0  0  0  0  0
    3.8205   -0.9010    9.5241 H   0  0  0  0  0
    3.0215   -2.3219    8.8294 H   0  0  0  0  0
    2.5609   -0.7014    8.2915 H   0  0  0  0  0
    4.4285   -0.1840    4.5578 H   0  0  0  0  0
    8.0882    0.0973    4.0514 H   0  0  0  0  0
    8.0783   -2.8740    3.4105 H   0  0  0  0  0
    7.2468   -2.4340    4.8837 H   0  0  0  0  0
   10.3229   -1.2656    6.4713 H   0  0  0  0  0
    8.8865   -0.4174    6.1489 H   0  0  0  0  0
    7.3127   -0.9081    1.4705 H   0  0  0  0  0
   11.0366    0.6981    1.4129 H   0  0  0  0  0
   10.2036    0.5218    4.2986 H   0  0  0  0  0
    9.5381    1.7723    3.2227 H   0  0  0  0  0
   11.2677    1.6495    3.5104 H   0  0  0  0  0
   10.7241   -1.8862    2.7887 H   0  0  0  0  0
   14.4769   -1.1204    1.5231 H   0  0  0  0  0
   12.6126    0.7313   -0.0490 H   0  0  0  0  0
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   15.1568   -1.5680   -1.4051 H   0  0  0  0  0
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 98 99  1  0  0  0
 98196  1  0  0  0
 98197  1  0  0  0
 99100  1  0  0  0
100198  1  0  0  0
100199  1  0  0  0
100200  1  0  0  0
101201  1  0  0  0
101202  1  0  0  0
M  END

>  <Chemical Name>
RFRP-1 (human)

>  <PubChem CID>
71462794

>  <Formula>
C67H101N19O14S

>  <Molecular Weight>
1428.724000

>  <IUPAC Name>
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]butanediamide

>  <XlogP>
-1.1

>  <Hydrogen Bond Donors>
16

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CO)NC(=O)C(CC4=CN=CN4)NC(=O)C5CCCN5C(=O)C(CCSC)N

>  <Isomeric SMILES>
C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCSC)N

>  <InChI Std. ID>
InChI=1S/C67H101N19O14S/c1-37(2)28-46(59(93)77-44(20-13-24-74-67(71)72)57(91)78-45(55(70)89)30-40-16-9-7-10-17-40)81-64(98)53-22-15-26-86(53)66(100)50(29-38(3)4)83-61(95)49(33-54(69)88)79-56(90)39(5)76-58(92)47(31-41-18-11-8-12-19-41)80-62(96)51(35-87)84-60(94)48(32-42-34-73-36-75-42)82-63(97)52-21-14-25-85(52)65(99)43(68)23-27-101-6/h7-12,16-19,34,36-39,43-53,87H,13-15,20-33,35,68H2,1-6H3,(H2,69,88)(H2,70,89)(H,73,75)(H,76,92)(H,77,93)(H,78,91)(H,79,90)(H,80,96)(H,81,98)(H,82,97)(H,83,95)(H,84,94)(H4,71,72,74)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1

>  <InChI Key>
STXUPUZSJMRDJT-IWPKOFGPSA-N

