[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]carbamic acid

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]carbamic acid Openeye Name: [3-(tert-butoxycarbonylamino)-4-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]carbamic acid CAS Name: [3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[[[4-(methylthio)phenyl]-oxomethyl]amino]cyclohexyl]carbamic acid IUPAC Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]carbamic acid Traditional Name: [3-(tert-butoxycarbonylamino)-4-[[4-(methylthio)benzoyl]amino]cyclohexyl]carbamic acid Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CC(CCC1NC(=O)C2=CC=C(C=C2)SC)NC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CC(CCC1NC(=O)C2=CC=C(C=C2)SC)NC(=O)O

InChI

InChI=1S/C20H29N3O5S/c1-20(2,3)28-19(27)23-16-11-13(21-18(25)26)7-10-15(16)22-17(24)12-5-8-14(29-4)9-6-12/h5-6,8-9,13,15-16,21H,7,10-11H2,1-4H3,(H,22,24)(H,23,27)(H,25,26)