methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidopyridin-1-ium-3-yl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[[4-(1-oxido-3-pyridin-1-iumyl)phenyl]-oxomethyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidopyridin-1-ium-3-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(1-oxidopyridin-1-ium-3-yl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C27H28N4O4/c1-35-27(33)23(16-18-5-2-6-21(15-18)25(28)29)24-8-4-14-31(24)26(32)20-11-9-19(10-12-20)22-7-3-13-30(34)17-22/h2-3,5-7,9-13,15,17,23-24H,4,8,14,16H2,1H3,(H3,28,29)