(2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3R)-1-[[(2R)-1-[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]hexanamide

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3R)-1-[[(2R)-1-[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]hexanamide Openeye Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S,2R)-1-[[(1R)-2-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-hydroxy-propyl]hexanamide CAS Name: (2S)-6-amino-N-[(2S,3R)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexanamide IUPAC Name: (2S)-6-amino-N-[(2S,3R)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Traditional Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-phenyl-propanoyl]-methyl-amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(1S,2R)-1-[[(1R)-2-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-hydroxy-propyl]hexanamide Formula: C50H69N11O11S2 MolecularWeight: 1064.27996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)N)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)N(C)C(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)C(CC4=CC=C(C=C4)O)N)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=C(C=C4)O)N)O

InChI

InChI=1S/C50H69N11O11S2/c1-27(62)41(43(53)65)59-47(69)39(26-74)58-49(71)42(28(2)63)60-45(67)36(15-9-10-20-51)55-48(70)40(23-31-24-54-35-14-8-7-13-33(31)35)61(3)50(72)37(22-29-11-5-4-6-12-29)56-46(68)38(25-73)57-44(66)34(52)21-30-16-18-32(64)19-17-30/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64,73-74H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,70)(H,56,68)(H,57,66)(H,58,71)(H,59,69)(H,60,67)/t27-,28-,34+,36+,37+,38+,39+,40-,41+,42+/m1/s1