(2S)-2-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[2-(2-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[2-(2-methoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[2-(2-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-(methylthio)butyrate Formula: C17H19N2O4S2- MolecularWeight: 379.47376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=CS2)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=CS2)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-23-14-6-4-3-5-12(14)16-18-11(10-25-16)9-15(20)19-13(17(21)22)7-8-24-2/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t13-/m0/s1