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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-2-[1-[[4-(1-oxido-4-pyridin-1-iumyl)phenyl]-oxomethyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-2-[1-[4-(1-oxidopyridin-1-ium-4-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(3-amidinophenyl)-2-[1-[4-(1-oxidopyridin-1-ium-4-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=CC=[N+](C=C4)[O-]

Isomeric SMILES

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

InChI

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