(2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoic acid

Systemtic Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoic acid Openeye Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(thiophene-2-carbonylamino)butanoic acid CAS Name: (2R)-3-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]thio]-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid IUPAC Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(thiophene-2-carbonylamino)butanoic acid Traditional Name: (2R)-3-(2-dimethylaminoethylthiocarbamoylthio)-3-methyl-2-(2-thenoylamino)butyric acid Formula: C15H23N3O3S3 MolecularWeight: 389.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC=CS1)SC(=S)NCCN(C)C

Isomeric SMILES

CC(C)([C@@H](C(=O)O)NC(=O)C1=CC=CS1)SC(=S)NCCN(C)C

InChI

InChI=1S/C15H23N3O3S3/c1-15(2,24-14(22)16-7-8-18(3)4)11(13(20)21)17-12(19)10-6-5-9-23-10/h5-6,9,11H,7-8H2,1-4H3,(H,16,22)(H,17,19)(H,20,21)/t11-/m1/s1