(2R)-2-acetamido-3-sulfanyl-propanoic acid; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 2-(2-chlorophenyl)-2-(methylamino)-1-cyclohexanone IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 2-(2-chlorophenyl)-2-(methylamino)cyclohexanone Formula: C18H25ClN2O4S MolecularWeight: 400.9201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)O.CNC1(CCCCC1=O)C2=CC=CC=C2Cl

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.CNC1(CCCCC1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H16ClNO.C5H9NO3S/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;1-3(7)6-4(2-10)5(8)9/h2-3,6-7,15H,4-5,8-9H2,1H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1