N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]propanoic acid Openeye Name: (2S)-3-tert-butoxy-2-[(2-nitrophenyl)sulfanylamino]propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2-nitrophenyl)thio]amino]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: (2S)-3-tert-butoxy-2-[[(2-nitrophenyl)thio]amino]propionic acid; dicyclohexylamine Formula: C25H41N3O5S MolecularWeight: 495.67514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S.C12H23N/c1-13(2,3)20-8-9(12(16)17)14-21-11-7-5-4-6-10(11)15(18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,9,14H,8H2,1-3H3,(H,16,17);11-13H,1-10H2/t9-;/m0./s1