(4-azanylcyclohexyl)methylcarbamoyl-(2-methyl-4-oxidanylidene-2-propan-2-ylsulfanyl-4-pyrrolidin-1-yl-butyl)carbamic acid

Systemtic Name: (4-azanylcyclohexyl)methylcarbamoyl-(2-methyl-4-oxidanylidene-2-propan-2-ylsulfanyl-4-pyrrolidin-1-yl-butyl)carbamic acid Openeye Name: (4-aminocyclohexyl)methylcarbamoyl-(2-isopropylsulfanyl-2-methyl-4-oxo-4-pyrrolidin-1-yl-butyl)carbamic acid CAS Name: [[(4-aminocyclohexyl)methylamino]-oxomethyl]-[2-methyl-4-oxo-2-(propan-2-ylthio)-4-(1-pyrrolidinyl)butyl]carbamic acid IUPAC Name: (4-aminocyclohexyl)methylcarbamoyl-(2-methyl-4-oxo-2-propan-2-ylsulfanyl-4-pyrrolidin-1-ylbutyl)carbamic acid Traditional Name: (4-aminocyclohexyl)methylcarbamoyl-[2-(isopropylthio)-4-keto-2-methyl-4-pyrrolidino-butyl]carbamic acid Formula: C21H38N4O4S MolecularWeight: 442.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C)(CC(=O)N1CCCC1)CN(C(=O)NCC2CCC(CC2)N)C(=O)O

Isomeric SMILES

CC(C)SC(C)(CC(=O)N1CCCC1)CN(C(=O)NCC2CCC(CC2)N)C(=O)O

InChI

InChI=1S/C21H38N4O4S/c1-15(2)30-21(3,12-18(26)24-10-4-5-11-24)14-25(20(28)29)19(27)23-13-16-6-8-17(22)9-7-16/h15-17H,4-14,22H2,1-3H3,(H,23,27)(H,28,29)