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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SCC

Isomeric SMILES

CCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SCC

InChI

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