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

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

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CC=CC=[N+]4[O-]

InChI

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