
 FVPTDVGPFAF

167171  0  0  0  0  0  0  0  0999 V2000
    0.5198    0.0547    2.7972 C   0  0  0  0  0
    1.2096   -0.3527    1.4883 C   0  0  0  0  0
    0.2511   -1.2560    0.6994 C   0  0  0  0  0
    1.6643    0.8841    0.6651 C   0  0  0  0  0
    2.6738    1.7467    1.4651 C   0  0  0  0  0
    3.8193    1.3595    1.6987 O   0  0  0  0  0
    2.2065    2.9784    1.8546 N   0  0  0  0  0
    2.9981    3.9585    2.5964 C   0  0  0  0  0
    2.0339    4.9056    3.3301 C   0  0  0  0  0
    0.8104    4.7337    3.2436 O   0  0  0  0  0
    2.5457    5.9198    4.1161 N   0  0  0  0  0
    1.6661    6.6035    5.0475 C   0  0  0  0  0
    2.5519    7.5446    5.8465 C   0  0  0  0  0
    3.9495    6.9406    5.7169 C   0  0  0  0  0
    3.9494    6.2659    4.3414 C   0  0  0  0  0
    4.5323    7.1398    3.1997 C   0  0  0  0  0
    5.0901    6.6148    2.2362 O   0  0  0  0  0
    4.3501    8.4995    3.2808 N   0  0  0  0  0
    4.7460    9.4289    2.2162 C   0  0  0  0  0
    3.5076   10.0735    1.5547 C   0  0  0  0  0
    2.7433    9.1134    0.6743 C   0  0  0  0  0
    1.6570    8.3877    1.1798 C   0  0  0  0  0
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    3.1343    8.9157   -0.6568 C   0  0  0  0  0
    5.6353   10.5341    2.8227 C   0  0  0  0  0
    5.2297   11.6888    2.9704 O   0  0  0  0  0
    6.8968   10.2546    3.2549 N   0  0  0  0  0
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    8.8228    8.8719    5.5086 N   0  0  0  0  0
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    4.2668   -1.7813   -3.7330 C   0  0  0  0  0
    4.2223   -2.7888   -4.4197 O   0  0  0  0  0
    5.2716   -0.8953   -3.8543 O   0  0  0  0  0
    1.6050   -0.2914   -4.1149 N   0  0  0  0  0
    1.9488   -0.2612   -5.4546 C   0  0  0  0  0
    3.1072   -0.1291   -5.8462 O   0  0  0  0  0
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    0.7325   -1.2993   -8.8383 C   0  0  0  0  0
    1.3789   -1.2366   -9.8908 O   0  0  0  0  0
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    0.0016   -4.6819  -10.0683 O   0  0  0  0  0
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    3.6337    3.4355    3.3173 H   0  0  0  0  0
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    5.3157    8.9057    1.4475 H   0  0  0  0  0
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M  END

>  <Chemical Name>
FVPTDVGPFAF

>  <PubChem CID>
44274033

>  <Formula>
C60H81N11O15

>  <Molecular Weight>
1196.370000

>  <IUPAC Name>
(3S)-3-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

>  <XlogP>
-0.1

>  <Hydrogen Bond Donors>
12

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
CC(C)C(C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)O)NC(=O)C4CCCN4C(=O)C(C(C)C)NC(=O)C(CC5=CC=CC=C5)N

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C(C)C)NC(=O)[C@H](CC5=CC=CC=C5)N)O

>  <InChI Std. ID>
InChI=1S/C60H81N11O15/c1-33(2)48(67-54(79)42(31-47(74)75)65-58(83)50(36(6)72)69-56(81)45-25-17-27-71(45)59(84)49(34(3)4)68-52(77)40(61)28-37-18-10-7-11-19-37)57(82)62-32-46(73)70-26-16-24-44(70)55(80)64-41(29-38-20-12-8-13-21-38)53(78)63-35(5)51(76)66-43(60(85)86)30-39-22-14-9-15-23-39/h7-15,18-23,33-36,40-45,48-50,72H,16-17,24-32,61H2,1-6H3,(H,62,82)(H,63,78)(H,64,80)(H,65,83)(H,66,76)(H,67,79)(H,68,77)(H,69,81)(H,74,75)(H,85,86)/t35-,36+,40-,41-,42-,43-,44-,45-,48-,49-,50-/m0/s1

>  <InChI Key>
COFTYEBEOOYCDC-KTHKGSMISA-N

