(2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-(4-methoxyphenyl)ethylamino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-(methylthio)butyrate Formula: C15H21N2O4S- MolecularWeight: 325.40324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C15H22N2O4S/c1-21-12-5-3-11(4-6-12)7-9-16-15(20)17-13(14(18)19)8-10-22-2/h3-6,13H,7-10H2,1-2H3,(H,18,19)(H2,16,17,20)/p-1/t13-/m0/s1