(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(6S,9S,12S,15S,21S,27R,32R,35S,38S,41S,44S,47S,50S,53S,56S,62S,65S,68S,71S)-12,50-bis(4-aminobutyl)-27-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-15,68-bis(2-amino-2-oxo-ethyl)-53-benzyl-65-(2-carboxyethyl)-41-(carboxymethyl)-56-(3-guanidinopropyl)-44-[(1R)-1-hydroxyethyl]-6,9,35-tris(hydroxymethyl)-21,47-bis(1H-imidazol-5-ylmethyl)-62-isobutyl-38-methyl-2,5,8,11,14,17,20,23,26,34,37,40,43,46,49,52,55,58,61,64,67,70-docosaoxo-29,30-dithia-1,4,7,10,13,16,19,22,25,33,36,39,42,45,48,51,54,57,60,63,66,69-docosazabicyclo[69.3.0]tetraheptacontane-32-carbonyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid

Compound Identifiers & Properties

PubChem CID

16130699

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=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)CC(=O)O)[C@@H](C)O)CC3=CN=CN3)CCCCN)CC4=CC=CC=C4)CCCNC(=N)N)CC(C)C)CCC(=O)O)CC(=O)N)CO)CO)CCCCN)CC(=O)N)CC5=CN=CN5)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC8=CN=CN8)C(=O)N[C@@H](CC(=O)O)C(=O)O)CO

Canonical SMILES

CC(C)C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC1=O