(2-methyl-4-oxidanylidene-2-propan-2-ylsulfanyl-4-pyrrolidin-1-yl-butyl)-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylcarbamoyl]carbamic acid

Systemtic Name: (2-methyl-4-oxidanylidene-2-propan-2-ylsulfanyl-4-pyrrolidin-1-yl-butyl)-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylcarbamoyl]carbamic acid Openeye Name: [4-(tert-butoxycarbonylamino)cyclohexyl]methylcarbamoyl-(2-isopropylsulfanyl-2-methyl-4-oxo-4-pyrrolidin-1-yl-butyl)carbamic acid CAS Name: [2-methyl-4-oxo-2-(propan-2-ylthio)-4-(1-pyrrolidinyl)butyl]-[[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclohexyl]methylamino]-oxomethyl]carbamic acid IUPAC Name: (2-methyl-4-oxo-2-propan-2-ylsulfanyl-4-pyrrolidin-1-ylbutyl)-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylcarbamoyl]carbamic acid Traditional Name: [4-(tert-butoxycarbonylamino)cyclohexyl]methylcarbamoyl-[2-(isopropylthio)-4-keto-2-methyl-4-pyrrolidino-butyl]carbamic acid Formula: C26H46N4O6S MolecularWeight: 542.73164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C)(CC(=O)N1CCCC1)CN(C(=O)NCC2CCC(CC2)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)SC(C)(CC(=O)N1CCCC1)CN(C(=O)NCC2CCC(CC2)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C26H46N4O6S/c1-18(2)37-26(6,15-21(31)29-13-7-8-14-29)17-30(24(34)35)22(32)27-16-19-9-11-20(12-10-19)28-23(33)36-25(3,4)5/h18-20H,7-17H2,1-6H3,(H,27,32)(H,28,33)(H,34,35)