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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H41N5O4S/c1-14(2)33-23(3,4)18(27-22(31)32-5)21(30)28-12-6-7-17(28)20(29)26-13-15-8-10-16(11-9-15)19(24)25/h14-18H,6-13H2,1-5H3,(H3,24,25)(H,26,29)(H,27,31)