[2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamic acid

Systemtic Name: [2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamic acid Openeye Name: [1-[2-(tert-butoxycarbonylamino)-1-[(4-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-butyl]carbamic acid CAS Name: [2-[(4-methoxyphenyl)methylthio]-5-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexan-3-yl]carbamic acid IUPAC Name: [2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamic acid Traditional Name: [1-[2-(tert-butoxycarbonylamino)-1-(p-anisylthio)ethyl]-3-methyl-butyl]carbamic acid Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CNC(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC)NC(=O)O

Isomeric SMILES

CC(C)CC(C(CNC(=O)OC(C)(C)C)SCC1=CC=C(C=C1)OC)NC(=O)O

InChI

InChI=1S/C21H34N2O5S/c1-14(2)11-17(23-19(24)25)18(12-22-20(26)28-21(3,4)5)29-13-15-7-9-16(27-6)10-8-15/h7-10,14,17-18,23H,11-13H2,1-6H3,(H,22,26)(H,24,25)