(2R)-2-[deuterio-(2-nitrophenyl)sulfanyl-amino]-3-methyl-3-(phenylmethylsulfanyl)butanoic acid

Systemtic Name: (2R)-2-[deuterio-(2-nitrophenyl)sulfanyl-amino]-3-methyl-3-(phenylmethylsulfanyl)butanoic acid Openeye Name: (2R)-3-benzylsulfanyl-2-[deuterio-(2-nitrophenyl)sulfanyl-amino]-3-methyl-butanoic acid CAS Name: (2R)-2-[deuterio-[(2-nitrophenyl)thio]amino]-3-methyl-3-(phenylmethylthio)butanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[deuterio-(2-nitrophenyl)sulfanylamino]-3-methylbutanoic acid Traditional Name: (2R)-3-(benzylthio)-2-[deuterio-[(2-nitrophenyl)thio]amino]-3-methyl-butyric acid Formula: C18H20N2O4S2 MolecularWeight: 393.498562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-])SCC2=CC=CC=C2

Isomeric SMILES

[2H]N([C@H](C(=O)O)C(C)(C)SCC1=CC=CC=C1)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S2/c1-18(2,25-12-13-8-4-3-5-9-13)16(17(21)22)19-26-15-11-7-6-10-14(15)20(23)24/h3-11,16,19H,12H2,1-2H3,(H,21,22)/t16-/m1/s1/i/hD