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

Systemtic Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(2-phenylpropanoylamino)butanoic acid Openeye Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(2-phenylpropanoylamino)butanoic acid CAS Name: (2R)-3-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]thio]-3-methyl-2-[(1-oxo-2-phenylpropyl)amino]butanoic acid IUPAC Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(2-phenylpropanoylamino)butanoic acid Traditional Name: (2R)-3-(2-dimethylaminoethylthiocarbamoylthio)-2-(hydratropoylamino)-3-methyl-butyric acid Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S2/c1-13(14-9-7-6-8-10-14)16(23)21-15(17(24)25)19(2,3)27-18(26)20-11-12-22(4)5/h6-10,13,15H,11-12H2,1-5H3,(H,20,26)(H,21,23)(H,24,25)/t13?,15-/m1/s1