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

Systemtic Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propylsulfanyl-butan-2-yl]carbamate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C25H45N5O4S MolecularWeight: 511.7209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N5O4S/c1-5-14-34-24(33)29-20(25(3,4)35-15-6-2)23(32)30-13-7-8-19(30)22(31)28-16-17-9-11-18(12-10-17)21(26)27/h17-20H,5-16H2,1-4H3,(H3,26,27)(H,28,31)(H,29,33)