(3S,6S,9S,12S,15R,20R,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,59S,62S,65S)-15-amino-23,41-bis(4-aminobutyl)-38-(2-amino-2-oxo-ethyl)-32,50,56-tris(3-amino-3-oxo-propyl)-3,35,47-tribenzyl-29-[(1R)-1-hydroxyethyl]-9,12,59-tris(hydroxymethyl)-53,62-bis[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-44-(1H-indol-3-ylmethyl)-26-isobutyl-2,5,8,11,14,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64-icosaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63-icosazabicyclo[63.3.0]octahexacontane-20-carboxylic acid

Compound Identifiers & Properties

PubChem CID

16131836

SMILES

C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC(=O)N)CC3=CC=CC=C3)CC(=O)N)CCCCN)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)CCC(=O)N)CC7=CC=C(C=C7)O)CCC(=O)N)CO)CC8=CC=C(C=C8)O)CC9=CC=CC=C9)CC1=CN=CN1)CO)CO)N)C(=O)O)CCCCN)CC(C)C)O

Canonical SMILES

CC(C)C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC1=O