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

Systemtic Name: [3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-methylsulfanyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]-methyl-methylsulfanyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [3-cyclohexyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-methyl-(methylthio)-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-methyl-methylsulfanyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [2-(tert-butoxycarbonylamino)-3-cyclohexyl-propanoyl]-methyl-(methylthio)-(4-nitrobenzyl)ammonium Formula: C23H36N3O5S+ MolecularWeight: 466.61404

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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)[N+](=O)[O-])SC

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O5S/c1-23(2,3)31-22(28)24-20(15-17-9-7-6-8-10-17)21(27)26(4,32-5)16-18-11-13-19(14-12-18)25(29)30/h11-14,17,20H,6-10,15-16H2,1-5H3/p+1