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

Systemtic Name: methyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-ethylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: methyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-ethylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(ethylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-ethylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(ethylthio)-2-methyl-propyl]carbamic acid methyl ester Formula: C21H38N4O4S MolecularWeight: 442.61582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N4O4S/c1-5-30-21(2,3)17(24-20(28)29-4)19(27)25-12-6-7-16(25)18(26)23-13-14-8-10-15(22)11-9-14/h14-17H,5-13,22H2,1-4H3,(H,23,26)(H,24,28)