2-methylpropyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate

Systemtic Name: 2-methylpropyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate Openeye Name: isobutyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-isopropylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propan-2-ylthio)butan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propan-2-ylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(isopropylthio)-2-methyl-propyl]carbamic acid isobutyl ester Formula: C25H46N4O4S MolecularWeight: 498.72214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SC(C)C

Isomeric SMILES

CC(C)COC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SC(C)C

InChI

InChI=1S/C25H46N4O4S/c1-16(2)15-33-24(32)28-21(25(5,6)34-17(3)4)23(31)29-13-7-8-20(29)22(30)27-14-18-9-11-19(26)12-10-18/h16-21H,7-15,26H2,1-6H3,(H,27,30)(H,28,32)