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

Systemtic Name: butyl N-[3-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: butyl N-[2-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[3-(butylthio)-1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid butyl ester IUPAC Name: butyl N-[3-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(butylthio)-2-methyl-propyl]carbamic acid butyl ester Formula: C27H49N5O4S MolecularWeight: 539.77406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SCCCC

Isomeric SMILES

CCCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SCCCC

InChI

InChI=1S/C27H49N5O4S/c1-5-7-16-36-26(35)31-22(27(3,4)37-17-8-6-2)25(34)32-15-9-10-21(32)24(33)30-18-19-11-13-20(14-12-19)23(28)29/h19-22H,5-18H2,1-4H3,(H3,28,29)(H,30,33)(H,31,35)