N-cyclohexylcyclohexanamine; (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2R)-3-[(4-methoxyphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2R)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-(p-anisylthio)propionic acid; dicyclohexylamine Formula: C28H46N2O5S MolecularWeight: 522.74024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSCC1=CC=C(C=C1)OC)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C16H23NO5S.C12H23N/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t13-;/m0./s1