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

Systemtic Name: methyl 3-[2-acetamido-3-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[2-acetamido-3-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[2-acetamido-3-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[2-acetamido-3-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[2-acetamido-3-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C24H27ClN4O5 MolecularWeight: 486.94798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC=C1N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)CCC(=O)OC.Cl

Isomeric SMILES

CC(=O)NC1=C(C=CC=C1N2CC(=C(C2=O)C3=CC=C(C=C3)C(=N)N)OC)CCC(=O)OC.Cl

InChI

InChI=1S/C24H26N4O5.ClH/c1-14(29)27-22-16(11-12-20(30)33-3)5-4-6-18(22)28-13-19(32-2)21(24(28)31)15-7-9-17(10-8-15)23(25)26;/h4-10H,11-13H2,1-3H3,(H3,25,26)(H,27,29);1H