methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonylamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(4H-imidazol-4-yl)-1-oxo-2-[[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]amino]propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(4H-imidazol-4-yl)-2-[[(2S)-5-ketoprolyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C35H40N8O9 MolecularWeight: 716.7403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CO)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4C=NC=N4)NC(=O)C5CCC(=O)N5

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4C=NC=N4)NC(=O)[C@@H]5CCC(=O)N5

InChI

InChI=1S/C35H40N8O9/c1-52-35(51)28(12-19-6-8-22(45)9-7-19)42-34(50)29(17-44)43-32(48)26(13-20-15-37-24-5-3-2-4-23(20)24)40-33(49)27(14-21-16-36-18-38-21)41-31(47)25-10-11-30(46)39-25/h2-9,15-16,18,21,25-29,37,44-45H,10-14,17H2,1H3,(H,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)/t21?,25-,26-,27-,28-,29-/m0/s1