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

Systemtic Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclobutylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-cyclobutylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(cyclobutylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid propyl ester IUPAC Name: propyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclobutylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(cyclobutylthio)-2-methyl-propyl]carbamic acid propyl ester Formula: C26H45N5O4S MolecularWeight: 523.7316

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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)SC3CCC3

Isomeric SMILES

CCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)C(C)(C)SC3CCC3

InChI

InChI=1S/C26H45N5O4S/c1-4-15-35-25(34)30-21(26(2,3)36-19-7-5-8-19)24(33)31-14-6-9-20(31)23(32)29-16-17-10-12-18(13-11-17)22(27)28/h17-21H,4-16H2,1-3H3,(H3,27,28)(H,29,32)(H,30,34)