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

Systemtic Name: (2S)-6-azanyl-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2R)-1-azanyl-1-oxidanylidene-3,3-diphenyl-propan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]hexanamide Openeye Name: (2S)-6-amino-N-[(1S)-1-[[(1R)-2-[[(1R)-2-amino-1-benzhydryl-2-oxo-ethyl]amino]-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-2-methyl-propyl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2-naphthyl)propanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide CAS Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3,3-diphenylpropan-2-yl]amino]-3-mercapto-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide IUPAC Name: (2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2R)-1-amino-1-oxo-3,3-diphenylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide Traditional Name: (2S)-6-amino-N-[(1S)-1-[[(1R)-2-[[(1R)-2-amino-1-benzhydryl-2-keto-ethyl]amino]-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-2-methyl-propyl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(2-naphthyl)propanoyl]amino]-3-mercapto-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide Formula: C65H77N11O9S2 MolecularWeight: 1220.50518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CS)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)N

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@@H](CS)NC(=O)[C@H](CC6=CC7=CC=CC=C7C=C6)N

InChI

InChI=1S/C65H77N11O9S2/c1-38(2)56(65(85)74-54(37-87)64(84)76-57(58(68)78)55(42-16-5-3-6-17-42)43-18-7-4-8-19-43)75-60(80)50(23-13-14-30-66)70-62(82)52(34-45-35-69-49-22-12-11-21-47(45)49)72-61(81)51(33-39-25-28-46(77)29-26-39)71-63(83)53(36-86)73-59(79)48(67)32-40-24-27-41-15-9-10-20-44(41)31-40/h3-12,15-22,24-29,31,35,38,48,50-57,69,77,86-87H,13-14,23,30,32-34,36-37,66-67H2,1-2H3,(H2,68,78)(H,70,82)(H,71,83)(H,72,81)(H,73,79)(H,74,85)(H,75,80)(H,76,84)/t48-,50-,51-,52+,53+,54-,56-,57+/m0/s1