3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-(3-carbamimidoylphenyl)-2-[6-[(1-carbamimidoyl-4-piperidinyl)oxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-2-[6-(1-carbamimidoylpiperidin-4-yl)oxy-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-(3-amidinophenyl)-2-[6-[(1-amidino-4-piperidyl)oxy]-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC3=C(C=C2)C(=O)N(CC3)C(CC4=CC=CC(=C4)C(=N)N)C(=O)O)C(=N)N

InChI

InChI=1S/C25H30N6O4/c26-22(27)17-3-1-2-15(12-17)13-21(24(33)34)31-11-6-16-14-19(4-5-20(16)23(31)32)35-18-7-9-30(10-8-18)25(28)29/h1-5,12,14,18,21H,6-11,13H2,(H3,26,27)(H3,28,29)(H,33,34)