(2R)-2-benzamido-3-methyl-3-(2-piperidin-1-ylethylcarbamothioylsulfanyl)butanoic acid

Systemtic Name: (2R)-2-benzamido-3-methyl-3-(2-piperidin-1-ylethylcarbamothioylsulfanyl)butanoic acid Openeye Name: (2R)-2-benzamido-3-methyl-3-[2-(1-piperidyl)ethylcarbamothioylsulfanyl]butanoic acid CAS Name: (2R)-2-benzamido-3-methyl-3-[[[2-(1-piperidinyl)ethylamino]-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: (2R)-2-benzamido-3-methyl-3-(2-piperidin-1-ylethylcarbamothioylsulfanyl)butanoic acid Traditional Name: (2R)-2-benzamido-3-methyl-3-(2-piperidinoethylthiocarbamoylthio)butyric acid Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC=CC=C1)SC(=S)NCCN2CCCCC2

Isomeric SMILES

CC(C)([C@@H](C(=O)O)NC(=O)C1=CC=CC=C1)SC(=S)NCCN2CCCCC2

InChI

InChI=1S/C20H29N3O3S2/c1-20(2,28-19(27)21-11-14-23-12-7-4-8-13-23)16(18(25)26)22-17(24)15-9-5-3-6-10-15/h3,5-6,9-10,16H,4,7-8,11-14H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t16-/m1/s1