3-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoic acid

Systemtic Name: 3-[7-[(4-carbamimidoylphenyl)carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[7-[(4-carbamimidoylbenzoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[7-[(4-carbamimidoylbenzoyl)amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[7-[(4-amidinobenzoyl)amino]-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C20H20N4O4/c21-18(22)13-1-3-14(4-2-13)19(27)23-15-6-5-12-7-9-24(10-8-17(25)26)20(28)16(12)11-15/h1-6,11H,7-10H2,(H3,21,22)(H,23,27)(H,25,26)