N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-6-(2-methylsulfonylethoxycarbonylamino)hexanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[2-methylsulfonylethoxy(oxo)methyl]amino]hexanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(2-methylsulfonylethoxycarbonylamino)hexanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-(2-mesylethoxycarbonylamino)hexanoic acid; dicyclohexylamine Formula: C27H51N3O8S MolecularWeight: 577.77414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C15H28N2O8S.C12H23N/c1-15(2,3)25-14(21)17-11(12(18)19)7-5-6-8-16-13(20)24-9-10-26(4,22)23;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,5-10H2,1-4H3,(H,16,20)(H,17,21)(H,18,19);11-13H,1-10H2/t11-;/m0./s1