[3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxyphenyl)methyl]-methyl-methylsulfanyl-azanium

Systemtic Name: [3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxyphenyl)methyl]-methyl-methylsulfanyl-azanium Openeye Name: [2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]-[(4-methoxyphenyl)methyl]-methyl-methylsulfanyl-ammonium CAS Name: [3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-[(4-methoxyphenyl)methyl]-methyl-(methylthio)ammonium IUPAC Name: [3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(4-methoxyphenyl)methyl]-methyl-methylsulfanylazanium Traditional Name: [2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]-methyl-(methylthio)-p-anisyl-ammonium Formula: C24H39N2O4S+ MolecularWeight: 451.64246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)[N+](C)(CC2=CC=C(C=C2)OC)SC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)[N+](C)(CC2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C24H38N2O4S/c1-24(2,3)30-23(28)25-21(16-18-10-8-7-9-11-18)22(27)26(4,31-6)17-19-12-14-20(29-5)15-13-19/h12-15,18,21H,7-11,16-17H2,1-6H3/p+1