(2S,3R)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: (2S,3R)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-4-phenyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]-4-phenyl-butanoic acid CAS Name: (2S,3R)-3-hydroxy-2-[[(2-nitrophenyl)thio]amino]-4-phenylbutanoic acid IUPAC Name: (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]-4-phenylbutanoic acid Traditional Name: (2S,3R)-3-hydroxy-2-[[(2-nitrophenyl)thio]amino]-4-phenyl-butyric acid Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H]([C@@H](C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C16H16N2O5S/c19-13(10-11-6-2-1-3-7-11)15(16(20)21)17-24-14-9-5-4-8-12(14)18(22)23/h1-9,13,15,17,19H,10H2,(H,20,21)/t13-,15+/m1/s1