(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-3-sulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-azanyl-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-3-sulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-3-sulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-4-hydroxy-1,4-dioxobutyl]amino]-3-mercapto-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-3-methyl-3-sulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-amino-4-hydroxy-4-keto-butanoyl]amino]-3-mercapto-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butyric acid Formula: C51H68N10O12S2 MolecularWeight: 1077.27542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(C(C)(C)S)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)(C)S)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C51H68N10O12S2/c1-27(2)41(50(72)73)60-48(70)39(26-74)59-46(68)36(22-29-16-18-31(62)19-17-29)56-44(66)35(15-10-20-52)55-47(69)38(23-30-25-54-34-14-9-8-13-32(30)34)57-45(67)37(21-28-11-6-5-7-12-28)58-49(71)42(51(3,4)75)61-43(65)33(53)24-40(63)64/h5-9,11-14,16-19,25,27,33,35-39,41-42,54,62,74-75H,10,15,20-24,26,52-53H2,1-4H3,(H,55,69)(H,56,66)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,61,65)(H,63,64)(H,72,73)/t33-,35-,36-,37+,38+,39-,41-,42+/m0/s1