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

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbonyl-methyl-amino]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylbenzoyl)-methyl-amino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]-methylamino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylbenzoyl)-methylamino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzoyl)-methyl-amino]-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=CC2=C(CN(C(=O)C(C2)CC(=O)O)CCC3=CC=CC=C3)C=C1)C(=O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN(C1=CC2=C(CN(C(=O)C(C2)CC(=O)O)CCC3=CC=CC=C3)C=C1)C(=O)C4=CC=C(C=C4)C(=N)N

InChI

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