2-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[8-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[8-[(4-amidinobenzoyl)amino]-3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H28N4O4/c29-26(30)19-6-8-20(9-7-19)27(35)31-24-11-10-21-14-22(16-25(33)34)28(36)32(17-23(21)15-24)13-12-18-4-2-1-3-5-18/h1-11,15,22H,12-14,16-17H2,(H3,29,30)(H,31,35)(H,33,34)