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

Systemtic Name: methyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclopentylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(cyclopentylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(cyclopentylthio)-2-methyl-propyl]carbamic acid methyl ester Formula: C24H42N4O4S MolecularWeight: 482.67968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NC(=O)OC)SC3CCCC3

Isomeric SMILES

CC(C)(C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)NC(=O)OC)SC3CCCC3

InChI

InChI=1S/C24H42N4O4S/c1-24(2,33-18-7-4-5-8-18)20(27-23(31)32-3)22(30)28-14-6-9-19(28)21(29)26-15-16-10-12-17(25)13-11-16/h16-20H,4-15,25H2,1-3H3,(H,26,29)(H,27,31)