4-[[(2-carboxy-5-phenyl-thiophen-3-yl)-(4-methylcyclohexyl)carbonyl-amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[(2-carboxy-5-phenyl-thiophen-3-yl)-(4-methylcyclohexyl)carbonyl-amino]methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[(2-carboxy-5-phenyl-3-thienyl)-(4-methylcyclohexanecarbonyl)amino]methyl]piperidine-1-carboxylic acid CAS Name: 4-[[(2-carboxy-5-phenyl-3-thiophenyl)-[(4-methylcyclohexyl)-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[(2-carboxy-5-phenylthiophen-3-yl)-(4-methylcyclohexanecarbonyl)amino]methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[(2-carboxy-5-phenyl-3-thienyl)-(4-methylcyclohexanecarbonyl)amino]methyl]piperidine-1-carboxylic acid Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)C(=O)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)C(=O)N(CC2CCN(CC2)C(=O)O)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H32N2O5S/c1-17-7-9-20(10-8-17)24(29)28(16-18-11-13-27(14-12-18)26(32)33)21-15-22(34-23(21)25(30)31)19-5-3-2-4-6-19/h2-6,15,17-18,20H,7-14,16H2,1H3,(H,30,31)(H,32,33)