2-acetamido-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride

Systemtic Name: 2-acetamido-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride Openeye Name: 2-acetamido-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride CAS Name: 2-acetamido-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 2-acetamido-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride Traditional Name: 2-acetamido-3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]phenyl]propionic acid hydrochloride Formula: C23H25ClN4O5 MolecularWeight: 472.9214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)C(=O)O.Cl

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)C(=O)O.Cl

InChI

InChI=1S/C23H24N4O5.ClH/c1-13(28)26-18(23(30)31)11-14-3-9-17(10-4-14)27-12-19(32-2)20(22(27)29)15-5-7-16(8-6-15)21(24)25;/h3-10,18H,11-12H2,1-2H3,(H3,24,25)(H,26,28)(H,30,31);1H