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

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(o-anisoylamino)butyric acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)NC2CCCC2

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@H](CCSC)C(=O)OCC(=O)NC2CCCC2

InChI

InChI=1S/C20H28N2O5S/c1-26-17-10-6-5-9-15(17)19(24)22-16(11-12-28-2)20(25)27-13-18(23)21-14-7-3-4-8-14/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H,21,23)(H,22,24)/t16-/m1/s1