N-cyclohexylcyclohexanamine; (2S,3R)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S,3R)-2-[(2-nitrophenyl)sulfanylamino]-3-oxidanyl-butanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S,3R)-3-hydroxy-2-[[(2-nitrophenyl)thio]amino]butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S,3R)-3-hydroxy-2-[(2-nitrophenyl)sulfanylamino]butanoic acid Traditional Name: dicyclohexylamine; (2S,3R)-3-hydroxy-2-[[(2-nitrophenyl)thio]amino]butyric acid Formula: C22H35N3O5S MolecularWeight: 453.5954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-])O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-])O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H23N.C10H12N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(13)9(10(14)15)11-18-8-5-3-2-4-7(8)12(16)17/h11-13H,1-10H2;2-6,9,11,13H,1H3,(H,14,15)/t;6-,9+/m.1/s1