
 H-SER-PHE-LEU-LEU-ARG-NH2

 96 96  0  0  0  0  0  0  0  0999 V2000
    0.1694    1.8295   -1.3342 C   0  0  0  0  0
    1.5907    1.2914   -1.5449 C   0  0  0  0  0
    1.7120    0.7781   -2.9801 C   0  0  0  0  0
    2.6060    2.4024   -1.1950 C   0  0  0  0  0
    4.0794    1.9775   -1.1047 C   0  0  0  0  0
    4.6991    1.6284   -2.4740 C   0  0  0  0  0
    4.3982    2.1962   -3.5176 O   0  0  0  0  0
    5.7027    0.6872   -2.3963 N   0  0  0  0  0
    6.4544    0.2184   -3.5558 C   0  0  0  0  0
    7.9330    0.5942   -3.3918 C   0  0  0  0  0
    8.8431    0.1686   -4.5613 C   0  0  0  0  0
    8.4402    0.8201   -5.8844 C   0  0  0  0  0
   10.2965    0.5191   -4.2317 C   0  0  0  0  0
    6.2511   -1.3078   -3.6196 C   0  0  0  0  0
    6.9236   -2.1023   -2.9642 O   0  0  0  0  0
    5.1614   -1.7032   -4.3740 N   0  0  0  0  0
    4.9826   -3.1110   -4.7117 C   0  0  0  0  0
    3.5055   -3.4675   -4.9017 C   0  0  0  0  0
    2.6995   -3.3146   -3.6060 C   0  0  0  0  0
    1.2370   -3.7188   -3.7849 C   0  0  0  0  0
    1.1411   -5.1362   -4.1163 N   0  0  0  0  0
    1.0505   -6.0148   -3.1951 C   0  0  0  0  0
    1.0287   -5.8842   -1.8515 N   0  0  0  0  0
    0.9869   -7.3219   -3.5270 N   0  0  0  0  0
    5.7484   -3.3778   -6.0229 C   0  0  0  0  0
    6.0075   -2.5045   -6.8485 O   0  0  0  0  0
    6.0759   -4.6813   -6.2676 N   0  0  0  0  0
    4.8680    3.0920   -0.5706 N   0  0  0  0  0
    6.1297    2.9177   -0.0450 C   0  0  0  0  0
    6.6285    1.8032    0.1035 O   0  0  0  0  0
    6.8448    4.2348    0.3404 C   0  0  0  0  0
    8.1373    3.9180    1.1107 C   0  0  0  0  0
    8.8175    5.1395    1.6875 C   0  0  0  0  0
    9.8515    5.7783    0.9888 C   0  0  0  0  0
   10.4930    6.8912    1.5351 C   0  0  0  0  0
   10.1084    7.3759    2.7835 C   0  0  0  0  0
    9.0761    6.7540    3.4829 C   0  0  0  0  0
    8.4296    5.6438    2.9365 C   0  0  0  0  0
    7.1218    5.0227   -0.8677 N   0  0  0  0  0
    6.1919    5.8779   -1.4238 C   0  0  0  0  0
    5.0681    6.0135   -0.9445 O   0  0  0  0  0
    6.7427    6.7138   -2.6002 C   0  0  0  0  0
    5.6087    7.1320   -3.5441 C   0  0  0  0  0
    5.2125    6.0134   -4.3348 O   0  0  0  0  0
    7.4409    7.8940   -2.0361 N   0  0  0  0  0
    0.0124    2.1173   -0.2895 H   0  0  0  0  0
   -0.5804    1.0717   -1.5855 H   0  0  0  0  0
   -0.0164    2.7094   -1.9603 H   0  0  0  0  0
    1.7346    0.4449   -0.8620 H   0  0  0  0  0
    1.7194    1.6047   -3.6986 H   0  0  0  0  0
    0.8724    0.1228   -3.2367 H   0  0  0  0  0
    2.6212    0.1880   -3.1162 H   0  0  0  0  0
    2.3256    2.8102   -0.2129 H   0  0  0  0  0
    2.4977    3.2340   -1.9037 H   0  0  0  0  0
    4.1803    1.1219   -0.4258 H   0  0  0  0  0
    6.0397    0.4156   -1.4736 H   0  0  0  0  0
    6.0457    0.6773   -4.4608 H   0  0  0  0  0
    8.3190    0.1477   -2.4648 H   0  0  0  0  0
    8.0071    1.6815   -3.2524 H   0  0  0  0  0
    8.7869   -0.9195   -4.6868 H   0  0  0  0  0
    8.4195    1.9117   -5.7995 H   0  0  0  0  0
    7.4520    0.4826   -6.2108 H   0  0  0  0  0
    9.1482    0.5562   -6.6775 H   0  0  0  0  0
   10.4210    1.5967   -4.0795 H   0  0  0  0  0
   10.9662    0.2108   -5.0414 H   0  0  0  0  0
   10.6212    0.0080   -3.3190 H   0  0  0  0  0
    4.8246   -1.0376   -5.0623 H   0  0  0  0  0
    5.4216   -3.7365   -3.9255 H   0  0  0  0  0
    3.4305   -4.5016   -5.2603 H   0  0  0  0  0
    3.0639   -2.8358   -5.6834 H   0  0  0  0  0
    2.7311   -2.2707   -3.2756 H   0  0  0  0  0
    3.1593   -3.9164   -2.8131 H   0  0  0  0  0
    0.7916   -3.1426   -4.6045 H   0  0  0  0  0
    0.6573   -3.4579   -2.8928 H   0  0  0  0  0
    0.8451   -4.9475   -1.5181 H   0  0  0  0  0
    0.4052   -6.5523   -1.4126 H   0  0  0  0  0
    1.1655   -7.4309   -4.5209 H   0  0  0  0  0
    1.6255   -7.8892   -2.9835 H   0  0  0  0  0
    6.0819   -5.3735   -5.5309 H   0  0  0  0  0
    6.6319   -4.8624   -7.0934 H   0  0  0  0  0
    4.6073    4.0383   -0.8510 H   0  0  0  0  0
    6.1595    4.8043    0.9814 H   0  0  0  0  0
    8.8461    3.3859    0.4618 H   0  0  0  0  0
    7.9202    3.2252    1.9349 H   0  0  0  0  0
   10.1764    5.4057    0.0205 H   0  0  0  0  0
   11.3013    7.3742    0.9919 H   0  0  0  0  0
   10.6171    8.2346    3.2142 H   0  0  0  0  0
    8.7794    7.1294    4.4591 H   0  0  0  0  0
    7.6313    5.1669    3.5011 H   0  0  0  0  0
    7.9230    4.7637   -1.4303 H   0  0  0  0  0
    7.4675    6.1047   -3.1528 H   0  0  0  0  0
    5.9522    7.9084   -4.2367 H   0  0  0  0  0
    4.7354    7.5124   -3.0038 H   0  0  0  0  0
    4.4133    6.2742   -4.8246 H   0  0  0  0  0
    8.1136    7.5740   -1.3369 H   0  0  0  0  0
    6.7610    8.4488   -1.5111 H   0  0  0  0  0
  1  2  1  0  0  0
  1 46  1  0  0  0
  1 47  1  0  0  0
  1 48  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 49  1  0  0  0
  3 50  1  0  0  0
  3 51  1  0  0  0
  3 52  1  0  0  0
  4  5  1  0  0  0
  4 53  1  0  0  0
  4 54  1  0  0  0
  5 28  1  0  0  0
  5  6  1  0  0  0
  5 55  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 56  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 57  1  0  0  0
 10 11  1  0  0  0
 10 58  1  0  0  0
 10 59  1  0  0  0
 11 13  1  0  0  0
 11 12  1  0  0  0
 11 60  1  0  0  0
 12 61  1  0  0  0
 12 62  1  0  0  0
 12 63  1  0  0  0
 13 64  1  0  0  0
 13 65  1  0  0  0
 13 66  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 67  1  0  0  0
 17 25  1  0  0  0
 17 18  1  0  0  0
 17 68  1  0  0  0
 18 19  1  0  0  0
 18 69  1  0  0  0
 18 70  1  0  0  0
 19 20  1  0  0  0
 19 71  1  0  0  0
 19 72  1  0  0  0
 20 21  1  0  0  0
 20 73  1  0  0  0
 20 74  1  0  0  0
 21 22  2  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 23 75  1  0  0  0
 23 76  1  0  0  0
 24 77  1  0  0  0
 24 78  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 79  1  0  0  0
 27 80  1  0  0  0
 28 29  1  0  0  0
 28 81  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 39  1  0  0  0
 31 32  1  0  0  0
 31 82  1  0  0  0
 32 33  1  0  0  0
 32 83  1  0  0  0
 32 84  1  0  0  0
 33 34  2  0  0  0
 33 38  1  0  0  0
 34 35  1  0  0  0
 34 85  1  0  0  0
 35 36  2  0  0  0
 35 86  1  0  0  0
 36 37  1  0  0  0
 36 87  1  0  0  0
 37 38  2  0  0  0
 37 88  1  0  0  0
 38 89  1  0  0  0
 39 40  1  0  0  0
 39 90  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 45  1  0  0  0
 42 43  1  0  0  0
 42 91  1  0  0  0
 43 44  1  0  0  0
 43 92  1  0  0  0
 43 93  1  0  0  0
 44 94  1  0  0  0
 45 95  1  0  0  0
 45 96  1  0  0  0
M  END

>  <Chemical Name>
H-SER-PHE-LEU-LEU-ARG-NH2

>  <PubChem CID>
9809471

>  <Formula>
C30H51N9O6

>  <Molecular Weight>
633.795000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

>  <XlogP>
-0.500

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)N

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)N

>  <InChI Std. ID>
InChI=1S/C30H51N9O6/c1-17(2)13-22(27(43)36-21(25(32)41)11-8-12-35-30(33)34)38-28(44)23(14-18(3)4)39-29(45)24(37-26(42)20(31)16-40)15-19-9-6-5-7-10-19/h5-7,9-10,17-18,20-24,40H,8,11-16,31H2,1-4H3,(H2,32,41)(H,36,43)(H,37,42)(H,38,44)(H,39,45)(H4,33,34,35)/t20-,21-,22-,23-,24-/m0/s1

>  <InChI Key>
CDBPTZOOUNAWQA-LSBAASHUSA-N

