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

Systemtic Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoic acid Openeye Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-(furan-2-carbonylamino)-3-methyl-butanoic acid CAS Name: (2R)-3-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]thio]-2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid IUPAC Name: (2R)-3-(2-dimethylaminoethylcarbamothioylsulfanyl)-2-(furan-2-carbonylamino)-3-methylbutanoic acid Traditional Name: (2R)-3-(2-dimethylaminoethylthiocarbamoylthio)-2-(2-furoylamino)-3-methyl-butyric acid Formula: C15H23N3O4S2 MolecularWeight: 373.49082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C1=CC=CO1)SC(=S)NCCN(C)C

Isomeric SMILES

CC(C)([C@@H](C(=O)O)NC(=O)C1=CC=CO1)SC(=S)NCCN(C)C

InChI

InChI=1S/C15H23N3O4S2/c1-15(2,24-14(23)16-7-8-18(3)4)11(13(20)21)17-12(19)10-6-5-9-22-10/h5-6,9,11H,7-8H2,1-4H3,(H,16,23)(H,17,19)(H,20,21)/t11-/m1/s1