3-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid

Systemtic Name: 3-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxidanylidene-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid Openeye Name: 3-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid CAS Name: 3-[8-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid IUPAC Name: 3-[8-[(4-carbamimidoylphenyl)-methylcarbamoyl]-3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl]propanoic acid Traditional Name: 3-[8-[(4-amidinophenyl)-methyl-carbamoyl]-3-keto-4,5-dihydro-1H-2-benzazepin-2-yl]propionic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c1-25(18-7-4-15(5-8-18)21(23)24)22(30)16-3-2-14-6-9-19(27)26(11-10-20(28)29)13-17(14)12-16/h2-5,7-8,12H,6,9-11,13H2,1H3,(H3,23,24)(H,28,29)