(1R,2R)-2-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[[[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C21H23N2O4S- MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2CCCCC2C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-12-16(11-13-7-3-2-4-8-13)28-20(17(12)18(22)24)23-19(25)14-9-5-6-10-15(14)21(26)27/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H2,22,24)(H,23,25)(H,26,27)/p-1/t14-,15-/m1/s1