carboxy 2-[(2-azanyl-4-methyl-pentanoyl)-(4-phenylphenyl)amino]-2-methyl-6-oxidanylidene-6-phenylazanyl-hexanoate

Systemtic Name: carboxy 2-[(2-azanyl-4-methyl-pentanoyl)-(4-phenylphenyl)amino]-2-methyl-6-oxidanylidene-6-phenylazanyl-hexanoate Openeye Name: carboxy 2-(N-(2-amino-4-methyl-pentanoyl)-4-phenyl-anilino)-6-anilino-2-methyl-6-oxo-hexanoate CAS Name: 2-(N-(2-amino-4-methyl-1-oxopentyl)-4-phenylanilino)-6-anilino-2-methyl-6-oxohexanoic acid carboxy ester IUPAC Name: carboxy 2-(N-(2-amino-4-methylpentanoyl)-4-phenylanilino)-6-anilino-2-methyl-6-oxohexanoate Traditional Name: 2-(N-(2-amino-4-methyl-pentanoyl)-4-phenyl-anilino)-6-anilino-6-keto-2-methyl-hexanoic acid carboxy ester Formula: C32H37N3O6 MolecularWeight: 559.65268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)(CCCC(=O)NC3=CC=CC=C3)C(=O)OC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)(CCCC(=O)NC3=CC=CC=C3)C(=O)OC(=O)O)N

InChI

InChI=1S/C32H37N3O6/c1-22(2)21-27(33)29(37)35(26-18-16-24(17-19-26)23-11-6-4-7-12-23)32(3,30(38)41-31(39)40)20-10-15-28(36)34-25-13-8-5-9-14-25/h4-9,11-14,16-19,22,27H,10,15,20-21,33H2,1-3H3,(H,34,36)(H,39,40)