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

Systemtic Name: methyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propylsulfanyl-butan-2-yl]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H40N4O4S MolecularWeight: 456.6424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40N4O4S/c1-5-13-31-22(2,3)18(25-21(29)30-4)20(28)26-12-6-7-17(26)19(27)24-14-15-8-10-16(23)11-9-15/h15-18H,5-14,23H2,1-4H3,(H,24,27)(H,25,29)