(2S)-3-methyl-2-[(4-nitrophenyl)sulfanyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-nitrophenyl)sulfanyl-(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-2-[benzyl-(4-nitrophenyl)sulfanyl-amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[(4-nitrophenyl)thio]-(phenylmethyl)amino]butanoic acid IUPAC Name: (2S)-2-[benzyl-(4-nitrophenyl)sulfanylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzyl-[(4-nitrophenyl)thio]amino]-3-methyl-butyric acid Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=CC=C1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-13(2)17(18(21)22)19(12-14-6-4-3-5-7-14)25-16-10-8-15(9-11-16)20(23)24/h3-11,13,17H,12H2,1-2H3,(H,21,22)/t17-/m0/s1