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

Systemtic Name: butyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propylsulfanyl-butan-2-yl]carbamate Openeye Name: butyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-2-propylsulfanyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propylthio)butan-2-yl]carbamic acid butyl ester IUPAC Name: butyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-2-(propylthio)propyl]carbamic acid butyl ester Formula: C26H47N5O4S MolecularWeight: 525.74748

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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)SCCC

Isomeric SMILES

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

InChI

InChI=1S/C26H47N5O4S/c1-5-7-15-35-25(34)30-21(26(3,4)36-16-6-2)24(33)31-14-8-9-20(31)23(32)29-17-18-10-12-19(13-11-18)22(27)28/h18-21H,5-17H2,1-4H3,(H3,27,28)(H,29,32)(H,30,34)