S-[5-(cyclopentylamino)-3-[[1-(2-methylpropoxycarbonylamino)cyclohexyl]carbonylamino]-4-oxidanylidene-pentyl] methanethioate

Systemtic Name: S-[5-(cyclopentylamino)-3-[[1-(2-methylpropoxycarbonylamino)cyclohexyl]carbonylamino]-4-oxidanylidene-pentyl] methanethioate Openeye Name: S-[5-(cyclopentylamino)-3-[[1-(isobutoxycarbonylamino)cyclohexanecarbonyl]amino]-4-oxo-pentyl] methanethioate CAS Name: methanethioic acid S-[5-(cyclopentylamino)-3-[[[1-[[2-methylpropoxy(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-4-oxopentyl] ester IUPAC Name: S-[5-(cyclopentylamino)-3-[[1-(2-methylpropoxycarbonylamino)cyclohexanecarbonyl]amino]-4-oxopentyl] methanethioate Traditional Name: methanethioic acid S-[5-(cyclopentylamino)-3-[[1-(isobutoxycarbonylamino)cyclohexanecarbonyl]amino]-4-keto-pentyl] ester Formula: C23H39N3O5S MolecularWeight: 469.63786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1(CCCCC1)C(=O)NC(CCSC=O)C(=O)CNC2CCCC2

Isomeric SMILES

CC(C)COC(=O)NC1(CCCCC1)C(=O)NC(CCSC=O)C(=O)CNC2CCCC2

InChI

InChI=1S/C23H39N3O5S/c1-17(2)15-31-22(30)26-23(11-6-3-7-12-23)21(29)25-19(10-13-32-16-27)20(28)14-24-18-8-4-5-9-18/h16-19,24H,3-15H2,1-2H3,(H,25,29)(H,26,30)