[2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)NC2CCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2CCCC2

InChI

InChI=1S/C20H28N2O4S/c1-14-6-5-7-15(12-14)19(24)22-17(10-11-27-2)20(25)26-13-18(23)21-16-8-3-4-9-16/h5-7,12,16-17H,3-4,8-11,13H2,1-2H3,(H,21,23)(H,22,24)/t17-/m1/s1