N-cyclohexylcyclohexanamine; (2S)-3-(1H-indol-3-yl)-2-[(2-nitrophenyl)sulfanylamino]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-(1H-indol-3-yl)-2-[(2-nitrophenyl)sulfanylamino]propanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-3-(1H-indol-3-yl)-2-[(2-nitrophenyl)sulfanylamino]propanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-3-(1H-indol-3-yl)-2-[[(2-nitrophenyl)thio]amino]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-(1H-indol-3-yl)-2-[(2-nitrophenyl)sulfanylamino]propanoic acid Traditional Name: dicyclohexylamine; (2S)-3-(1H-indol-3-yl)-2-[[(2-nitrophenyl)thio]amino]propionic acid Formula: C29H38N4O4S MolecularWeight: 538.70142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NSC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NSC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S.C12H23N/c21-17(22)14(9-11-10-18-13-6-2-1-5-12(11)13)19-25-16-8-4-3-7-15(16)20(23)24;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8,10,14,18-19H,9H2,(H,21,22);11-13H,1-10H2/t14-;/m0./s1