3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-4-(2-carboxyethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-4-(2-carboxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-4-(2-carboxyethylamino)-4-oxo-butanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-4-(2-carboxyethylamino)-4-oxobutanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-4-(2-carboxyethylamino)-4-oxobutanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-4-(2-carboxyethylamino)-4-keto-butyric acid Formula: C24H26N4O7 MolecularWeight: 482.48584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)C(CC(=O)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)C(CC(=O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C24H26N4O7/c25-22(26)15-3-1-14(2-4-15)13-35-17-5-6-18-16(11-17)8-10-28(24(18)34)19(12-21(31)32)23(33)27-9-7-20(29)30/h1-6,11,19H,7-10,12-13H2,(H3,25,26)(H,27,33)(H,29,30)(H,31,32)