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

Systemtic Name: (2S,3R)-4-(4-methoxyphenyl)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-butanoic acid Openeye Name: (2S,3R)-3-hydroxy-4-(4-methoxyphenyl)-2-[(2-nitrophenyl)sulfanylamino]butanoic acid CAS Name: (2S,3R)-3-hydroxy-4-(4-methoxyphenyl)-2-[[(2-nitrophenyl)thio]amino]butanoic acid IUPAC Name: (2S,3R)-3-hydroxy-4-(4-methoxyphenyl)-2-[(2-nitrophenyl)sulfanylamino]butanoic acid Traditional Name: (2S,3R)-3-hydroxy-4-(4-methoxyphenyl)-2-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H]([C@@H](C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O6S/c1-25-12-8-6-11(7-9-12)10-14(20)16(17(21)22)18-26-15-5-3-2-4-13(15)19(23)24/h2-9,14,16,18,20H,10H2,1H3,(H,21,22)/t14-,16+/m1/s1