N-cyclohexylcyclohexanamine; (2S)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: (2S)-4-benzyloxy-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-butanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[(2-nitrophenyl)thio]amino]-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-nitrophenyl)sulfanylamino]-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: (2S)-4-benzoxy-4-keto-2-[[(2-nitrophenyl)thio]amino]butyric acid; dicyclohexylamine Formula: C29H39N3O6S MolecularWeight: 557.70146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)COC(=O)C[C@@H](C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S.C12H23N/c20-16(25-11-12-6-2-1-3-7-12)10-13(17(21)22)18-26-15-9-5-4-8-14(15)19(23)24;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,13,18H,10-11H2,(H,21,22);11-13H,1-10H2/t13-;/m0./s1