methyl 2-[[(2S)-2-(4-methylsulfanylimidazol-1-yl)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2S)-2-(4-methylsulfanylimidazol-1-yl)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-(4-methylsulfanylimidazol-1-yl)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[(2S)-2-[4-(methylthio)-1-imidazolyl]-1-oxo-3-phenylpropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(4-methylsulfanylimidazol-1-yl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-[4-(methylthio)imidazol-1-yl]-3-phenyl-propanoyl]amino]acetic acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C(CC1=CC=CC=C1)N2C=C(N=C2)SC

Isomeric SMILES

COC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)N2C=C(N=C2)SC

InChI

InChI=1S/C16H19N3O3S/c1-22-15(20)9-17-16(21)13(8-12-6-4-3-5-7-12)19-10-14(23-2)18-11-19/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,21)/t13-/m0/s1