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

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxidanylidene-2-propan-2-yl-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-2-isopropyl-3-oxo-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-3-oxo-2-propan-2-yl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxo-2-propan-2-yl-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzyl)carbamoyl]-2-isopropyl-3-keto-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)N1CC2=C(CC(C1=O)CC(=O)O)C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H28N4O4/c1-14(2)28-13-18-8-7-17(9-19(18)10-20(24(28)32)11-21(29)30)23(31)27-12-15-3-5-16(6-4-15)22(25)26/h3-9,14,20H,10-13H2,1-2H3,(H3,25,26)(H,27,31)(H,29,30)