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

Systemtic Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-3-methyl-2-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclohexyl-2-methyl-1-methylsulfanyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-cyclohexyl-3-methyl-2-(methylthio)-1-oxobutan-2-yl]carbamic acid propyl ester IUPAC Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-3-methyl-2-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclohexyl-2-methyl-1-(methylthio)propyl]carbamic acid propyl ester Formula: C29H51N5O4S MolecularWeight: 565.81134

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)(C(C)(C)C3CCCCC3)SC

Isomeric SMILES

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)(C(C)(C)C3CCCCC3)SC

InChI

InChI=1S/C29H51N5O4S/c1-5-18-38-27(37)33-29(39-4,28(2,3)22-10-7-6-8-11-22)26(36)34-17-9-12-23(34)25(35)32-19-20-13-15-21(16-14-20)24(30)31/h20-23H,5-19H2,1-4H3,(H3,30,31)(H,32,35)(H,33,37)