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

Systemtic Name: propan-2-yl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-butylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isopropyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-butylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(butylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-butylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(butylthio)-2-methyl-propyl]carbamic acid isopropyl ester Formula: C25H46N4O4S MolecularWeight: 498.72214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NC(=O)OC(C)C

Isomeric SMILES

CCCCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NC(=O)OC(C)C

InChI

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