S-[(6S)-7-(cyclopentylamino)-6-(furan-2-ylcarbonylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate

Systemtic Name: S-[(6S)-7-(cyclopentylamino)-6-(furan-2-ylcarbonylamino)-7-oxidanylidene-heptyl] 2-methylpropanethioate Openeye Name: S-[(6S)-7-(cyclopentylamino)-6-(furan-2-carbonylamino)-7-oxo-heptyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-[[2-furanyl(oxo)methyl]amino]-7-oxoheptyl] ester IUPAC Name: S-[(6S)-7-(cyclopentylamino)-6-(furan-2-carbonylamino)-7-oxoheptyl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[(6S)-7-(cyclopentylamino)-6-(2-furoylamino)-7-keto-heptyl] ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCCCCCC(C(=O)NC1CCCC1)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H32N2O4S/c1-15(2)21(26)28-14-7-3-4-11-17(19(24)22-16-9-5-6-10-16)23-20(25)18-12-8-13-27-18/h8,12-13,15-17H,3-7,9-11,14H2,1-2H3,(H,22,24)(H,23,25)/t17-/m0/s1