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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NC(=O)OCC(C)C

Isomeric SMILES

CCCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NC(=O)OCC(C)C

InChI

InChI=1S/C25H46N4O4S/c1-6-14-34-25(4,5)21(28-24(32)33-16-17(2)3)23(31)29-13-7-8-20(29)22(30)27-15-18-9-11-19(26)12-10-18/h17-21H,6-16,26H2,1-5H3,(H,27,30)(H,28,32)