methyl 3-(1-carbamimidoylpiperidin-3-yl)-2-[1-[4-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate

Systemtic Name: methyl 3-(1-carbamimidoylpiperidin-3-yl)-2-[1-[4-(6-oxidanylidene-1H-pyridin-3-yl)phenyl]carbonylpyrrolidin-2-yl]propanoate Openeye Name: methyl 3-(1-carbamimidoyl-3-piperidyl)-2-[1-[4-(6-oxo-1H-pyridin-3-yl)benzoyl]pyrrolidin-2-yl]propanoate CAS Name: 3-(1-carbamimidoyl-3-piperidinyl)-2-[1-[oxo-[4-(6-oxo-1H-pyridin-3-yl)phenyl]methyl]-2-pyrrolidinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(1-carbamimidoylpiperidin-3-yl)-2-[1-[4-(6-oxo-1H-pyridin-3-yl)benzoyl]pyrrolidin-2-yl]propanoate Traditional Name: 3-(1-amidino-3-piperidyl)-2-[1-[4-(6-keto-1H-pyridin-3-yl)benzoyl]pyrrolidin-2-yl]propionic acid methyl ester Formula: C26H33N5O4 MolecularWeight: 479.57132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1CCCN(C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CNC(=O)C=C4

Isomeric SMILES

COC(=O)C(CC1CCCN(C1)C(=N)N)C2CCCN2C(=O)C3=CC=C(C=C3)C4=CNC(=O)C=C4

InChI

InChI=1S/C26H33N5O4/c1-35-25(34)21(14-17-4-2-12-30(16-17)26(27)28)22-5-3-13-31(22)24(33)19-8-6-18(7-9-19)20-10-11-23(32)29-15-20/h6-11,15,17,21-22H,2-5,12-14,16H2,1H3,(H3,27,28)(H,29,32)