3-[1-(3-cyano-5-ethoxycarbonyl-6-methyl-pyridin-2-yl)-4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-3-yl]propanoic acid

Systemtic Name: 3-[1-(3-cyano-5-ethoxycarbonyl-6-methyl-pyridin-2-yl)-4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-3-yl]propanoic acid Openeye Name: 3-[4-(benzylsulfonylcarbamoyl)-1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridyl)-3-piperidyl]propanoic acid CAS Name: 3-[1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)-4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-3-piperidinyl]propanoic acid IUPAC Name: 3-[4-(benzylsulfonylcarbamoyl)-1-(3-cyano-5-ethoxycarbonyl-6-methylpyridin-2-yl)piperidin-3-yl]propanoic acid Traditional Name: 3-[4-(benzylsulfonylcarbamoyl)-1-(5-carbethoxy-3-cyano-6-methyl-2-pyridyl)-3-piperidyl]propionic acid Formula: C26H30N4O7S MolecularWeight: 542.604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(C(C2)CCC(=O)O)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(C(C2)CCC(=O)O)C(=O)NS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C26H30N4O7S/c1-3-37-26(34)22-13-20(14-27)24(28-17(22)2)30-12-11-21(19(15-30)9-10-23(31)32)25(33)29-38(35,36)16-18-7-5-4-6-8-18/h4-8,13,19,21H,3,9-12,15-16H2,1-2H3,(H,29,33)(H,31,32)