propyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-methyl-3-(3-methylbutylsulfanyl)-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: propyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-methyl-3-(3-methylbutylsulfanyl)-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: propyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidine-1-carbonyl]-2-isopentylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[4-carbamimidoyl-2-[(cyclohexylmethylamino)-oxomethyl]-1-pyrrolidinyl]-3-methyl-3-(3-methylbutylthio)-1-oxobutan-2-yl]carbamic acid propyl ester IUPAC Name: propyl N-[1-[4-carbamimidoyl-2-(cyclohexylmethylcarbamoyl)pyrrolidin-1-yl]-3-methyl-3-(3-methylbutylsulfanyl)-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[4-amidino-2-(cyclohexylmethylcarbamoyl)pyrrolidine-1-carbonyl]-2-(isoamylthio)-2-methyl-propyl]carbamic acid propyl ester Formula: C27H49N5O4S MolecularWeight: 539.77406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)NC(C(=O)N1CC(CC1C(=O)NCC2CCCCC2)C(=N)N)C(C)(C)SCCC(C)C

Isomeric SMILES

CCCOC(=O)NC(C(=O)N1CC(CC1C(=O)NCC2CCCCC2)C(=N)N)C(C)(C)SCCC(C)C

InChI

InChI=1S/C27H49N5O4S/c1-6-13-36-26(35)31-22(27(4,5)37-14-12-18(2)3)25(34)32-17-20(23(28)29)15-21(32)24(33)30-16-19-10-8-7-9-11-19/h18-22H,6-17H2,1-5H3,(H3,28,29)(H,30,33)(H,31,35)