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

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(2-phenylthiazol-4-yl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(2-phenyl-4-thiazolyl)ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(2-phenylthiazol-4-yl)acetyl]amino]butyrate Formula: C16H17N2O3S2- MolecularWeight: 349.44778

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CC1=CSC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S2/c1-22-8-7-13(16(20)21)18-14(19)9-12-10-23-15(17-12)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3,(H,18,19)(H,20,21)/p-1/t13-/m0/s1