(2R)-2-benzamido-3-[3-(dimethylamino)propylcarbamothioylsulfanyl]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-benzamido-3-[3-(dimethylamino)propylcarbamothioylsulfanyl]-3-methyl-butanoic acid Openeye Name: (2R)-2-benzamido-3-[3-(dimethylamino)propylcarbamothioylsulfanyl]-3-methyl-butanoic acid CAS Name: (2R)-2-benzamido-3-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]thio]-3-methylbutanoic acid IUPAC Name: (2R)-2-benzamido-3-[3-(dimethylamino)propylcarbamothioylsulfanyl]-3-methylbutanoic acid Traditional Name: (2R)-2-benzamido-3-[3-(dimethylamino)propylthiocarbamoylthio]-3-methyl-butyric acid Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S2/c1-18(2,26-17(25)19-11-8-12-21(3)4)14(16(23)24)20-15(22)13-9-6-5-7-10-13/h5-7,9-10,14H,8,11-12H2,1-4H3,(H,19,25)(H,20,22)(H,23,24)/t14-/m1/s1