ethyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-pentan-3-ylsulfanyl-butan-2-yl]carbamate

Systemtic Name: ethyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-pentan-3-ylsulfanyl-butan-2-yl]carbamate Openeye Name: ethyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidine-1-carbonyl]-2-(1-ethylpropylsulfanyl)-2-methyl-propyl]carbamate CAS Name: N-[1-[4-carbamimidoyl-2-[(cyclohexylmethylamino)-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(pentan-3-ylthio)butan-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxo-3-pentan-3-ylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[4-amidino-2-(cyclohexylmethylcarbamoyl)pyrrolidine-1-carbonyl]-2-(1-ethylpropylthio)-2-methyl-propyl]carbamic acid ethyl ester Formula: C26H47N5O4S MolecularWeight: 525.74748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC(C)(C)C(C(=O)N1CC(CC1C(=O)NCC2CCCCC2)C(=N)N)NC(=O)OCC

Isomeric SMILES

CCC(CC)SC(C)(C)C(C(=O)N1CC(CC1C(=O)NCC2CCCCC2)C(=N)N)NC(=O)OCC

InChI

InChI=1S/C26H47N5O4S/c1-6-19(7-2)36-26(4,5)21(30-25(34)35-8-3)24(33)31-16-18(22(27)28)14-20(31)23(32)29-15-17-12-10-9-11-13-17/h17-21H,6-16H2,1-5H3,(H3,27,28)(H,29,32)(H,30,34)