N-cyclohexylcyclohexanamine; (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-4-methyl-2-[[(2-nitrophenyl)thio]amino]pentanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-4-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid Traditional Name: dicyclohexylamine; (2S)-4-methyl-2-[[(2-nitrophenyl)thio]amino]valeric acid Formula: C24H39N3O4S MolecularWeight: 465.64916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S.C12H23N/c1-8(2)7-9(12(15)16)13-19-11-6-4-3-5-10(11)14(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-6,8-9,13H,7H2,1-2H3,(H,15,16);11-13H,1-10H2/t9-;/m0./s1