4-[5-carboxy-4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

Systemtic Name: 4-[5-carboxy-4-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Openeye Name: 4-[5-carboxy-4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thienyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid CAS Name: 4-[5-carboxy-4-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-2-thiophenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid IUPAC Name: 4-[5-carboxy-4-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]thiophen-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Traditional Name: 4-[5-carboxy-4-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thienyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CCN(CC3)C(=O)O)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CCN(CC3)C(=O)O)C(=O)O)C(C)C

InChI

InChI=1S/C22H30N2O5S/c1-13(2)24(20(25)16-6-4-14(3)5-7-16)17-12-18(30-19(17)21(26)27)15-8-10-23(11-9-15)22(28)29/h8,12-14,16H,4-7,9-11H2,1-3H3,(H,26,27)(H,28,29)