[(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC(C)C(=O)NC(=O)NC2CCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)C

InChI

InChI=1S/C20H28N2O4S/c1-13-8-9-17(12-14(13)2)27-11-10-18(23)26-15(3)19(24)22-20(25)21-16-6-4-5-7-16/h8-9,12,15-16H,4-7,10-11H2,1-3H3,(H2,21,22,24,25)/t15-/m1/s1