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

Systemtic Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate Openeye Name: isobutyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-isopropylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propan-2-ylthio)butan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propan-2-ylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(isopropylthio)-2-methyl-propyl]carbamic acid isobutyl ester Formula: C26H47N5O4S MolecularWeight: 525.74748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N5O4S/c1-16(2)15-35-25(34)30-21(26(5,6)36-17(3)4)24(33)31-13-7-8-20(31)23(32)29-14-18-9-11-19(12-10-18)22(27)28/h16-21H,7-15H2,1-6H3,(H3,27,28)(H,29,32)(H,30,34)