3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylic acid Openeye Name: 5-(1-benzyloxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-(1-phenylmethoxycarbonyl-3,6-dihydro-2H-pyridin-4-yl)thiophene-2-carboxylic acid Traditional Name: 5-(1-carbobenzoxy-3,6-dihydro-2H-pyridin-4-yl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-2-thenoic acid Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(SC(=C2)C3=CCN(CC3)C(=O)OCC4=CC=CC=C4)C(=O)O)C(C)C

InChI

InChI=1S/C29H36N2O5S/c1-19(2)31(27(32)23-11-9-20(3)10-12-23)24-17-25(37-26(24)28(33)34)22-13-15-30(16-14-22)29(35)36-18-21-7-5-4-6-8-21/h4-8,13,17,19-20,23H,9-12,14-16,18H2,1-3H3,(H,33,34)