phenacyl 1-[6-azanyl-2-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-bis(oxidanylidene)-2,3,5,6-tetrahydroindole-7a-carboxylate

Systemtic Name: phenacyl 1-[6-azanyl-2-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-bis(oxidanylidene)-2,3,5,6-tetrahydroindole-7a-carboxylate Openeye Name: phenacyl 1-[6-amino-2-[2-aminopropanoyl(benzyloxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindole-7a-carboxylate CAS Name: 1-[6-amino-2-[(2-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-1-oxohexyl]-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindole-7a-carboxylic acid phenacyl ester IUPAC Name: phenacyl 1-[6-amino-2-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindole-7a-carboxylate Traditional Name: 1-[2-[alanyl(carbobenzoxy)amino]-6-amino-hexanoyl]-4,7-diketo-3a-methoxy-2,3,5,6-tetrahydroindole-7a-carboxylic acid phenacyl ester Formula: C35H42N4O10 MolecularWeight: 678.72878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C(CCCCN)C(=O)N1CCC2(C1(C(=O)CCC2=O)C(=O)OCC(=O)C3=CC=CC=C3)OC)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

CC(C(=O)N(C(CCCCN)C(=O)N1CCC2(C1(C(=O)CCC2=O)C(=O)OCC(=O)C3=CC=CC=C3)OC)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C35H42N4O10/c1-23(37)30(43)39(33(46)49-21-24-11-5-3-6-12-24)26(15-9-10-19-36)31(44)38-20-18-34(47-2)28(41)16-17-29(42)35(34,38)32(45)48-22-27(40)25-13-7-4-8-14-25/h3-8,11-14,23,26H,9-10,15-22,36-37H2,1-2H3