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

Systemtic Name: methyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propylsulfanyl-butan-2-yl]carbamate Openeye Name: methyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-2-propylsulfanyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propylthio)butan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-2-(propylthio)propyl]carbamic acid methyl ester Formula: C23H41N5O4S MolecularWeight: 483.66774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41N5O4S/c1-5-13-33-23(2,3)18(27-22(31)32-4)21(30)28-12-6-7-17(28)20(29)26-14-15-8-10-16(11-9-15)19(24)25/h15-18H,5-14H2,1-4H3,(H3,24,25)(H,26,29)(H,27,31)