(2R)-2-benzamido-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-butanoic acid

Systemtic Name: (2R)-2-benzamido-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-butanoic acid Openeye Name: (2R)-2-benzamido-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-butanoic acid CAS Name: (2R)-2-benzamido-3-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]thio]-3-methylbutanoic acid IUPAC Name: (2R)-2-benzamido-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methylbutanoic acid Traditional Name: (2R)-2-benzamido-3-(2-dimethylaminoethylthiocarbamoylthio)-3-methyl-butyric acid Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-17(2,25-16(24)18-10-11-20(3)4)13(15(22)23)19-14(21)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,24)(H,19,21)(H,22,23)/t13-/m1/s1