2-[7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)-methylcarbamoyl]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[(4-amidinophenyl)-methyl-carbamoyl]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2=CC3=C(CN(C(=O)C(C3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C29H30N4O4/c1-32(25-11-9-20(10-12-25)27(30)31)28(36)21-7-8-22-18-33(14-13-19-5-3-2-4-6-19)29(37)24(17-26(34)35)16-23(22)15-21/h2-12,15,24H,13-14,16-18H2,1H3,(H3,30,31)(H,34,35)