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

Systemtic Name: 1-[6-azanyl-2-[2-azanylpropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-bis(oxidanylidene)-2,3,5,6-tetrahydroindole-7a-carboxylic acid Openeye Name: 1-[6-amino-2-[2-aminopropanoyl(benzyloxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindole-7a-carboxylic acid 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 IUPAC Name: 1-[6-amino-2-[2-aminopropanoyl(phenylmethoxycarbonyl)amino]hexanoyl]-3a-methoxy-4,7-dioxo-2,3,5,6-tetrahydroindole-7a-carboxylic acid Traditional Name: 1-[2-[alanyl(carbobenzoxy)amino]-6-amino-hexanoyl]-4,7-diketo-3a-methoxy-2,3,5,6-tetrahydroindole-7a-carboxylic acid Formula: C27H36N4O9 MolecularWeight: 560.59614

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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)O)OC)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)N(C(CCCCN)C(=O)N1CCC2(C1(C(=O)CCC2=O)C(=O)O)OC)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C27H36N4O9/c1-17(29)22(34)31(25(38)40-16-18-8-4-3-5-9-18)19(10-6-7-14-28)23(35)30-15-13-26(39-2)20(32)11-12-21(33)27(26,30)24(36)37/h3-5,8-9,17,19H,6-7,10-16,28-29H2,1-2H3,(H,36,37)