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

Systemtic Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isobutyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclopentylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(cyclopentylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclopentylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(cyclopentylthio)-2-methyl-propyl]carbamic acid isobutyl ester Formula: C28H49N5O4S MolecularWeight: 551.78476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SC3CCCC3

Isomeric SMILES

CC(C)COC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SC3CCCC3

InChI

InChI=1S/C28H49N5O4S/c1-18(2)17-37-27(36)32-23(28(3,4)38-21-8-5-6-9-21)26(35)33-15-7-10-22(33)25(34)31-16-19-11-13-20(14-12-19)24(29)30/h18-23H,5-17H2,1-4H3,(H3,29,30)(H,31,34)(H,32,36)