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

Systemtic Name: (2S)-2-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[2-[2-(3-methoxyphenyl)thiazol-4-yl]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[2-(3-methoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[2-(3-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(=C1)C2=NC(=CS2)CC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)CC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4S2/c1-23-13-5-3-4-11(8-13)16-18-12(10-25-16)9-15(20)19-14(17(21)22)6-7-24-2/h3-5,8,10,14H,6-7,9H2,1-2H3,(H,19,20)(H,21,22)/p-1/t14-/m0/s1