ethyl 1-[2-[3-(3-acetamido-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-naphthalen-2-yl-propanoyl]-4-azanyl-pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[2-[3-(3-acetamido-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-naphthalen-2-yl-propanoyl]-4-azanyl-pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[2-[3-(3-acetamido-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-(2-naphthyl)propanoyl]-4-amino-pyrrolidine-2-carboxylate CAS Name: 1-[2-[[3-(3-acetamido-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-4-amino-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(3-acetamido-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-naphthalen-2-ylpropanoyl]-4-aminopyrrolidine-2-carboxylate Traditional Name: 1-[2-[3-(3-acetamido-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl)propanoylamino]-3-(2-naphthyl)propanoyl]-4-amino-pyrrolidine-2-carboxylic acid ethyl ester Formula: C35H41N5O6 MolecularWeight: 627.72994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(CN1C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)CCN4C5=CC=CC=C5CCC(C4=O)NC(=O)C)N

Isomeric SMILES

CCOC(=O)C1CC(CN1C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)CCN4C5=CC=CC=C5CCC(C4=O)NC(=O)C)N

InChI

InChI=1S/C35H41N5O6/c1-3-46-35(45)31-20-27(36)21-40(31)34(44)29(19-23-12-13-24-8-4-5-10-26(24)18-23)38-32(42)16-17-39-30-11-7-6-9-25(30)14-15-28(33(39)43)37-22(2)41/h4-13,18,27-29,31H,3,14-17,19-21,36H2,1-2H3,(H,37,41)(H,38,42)