methyl (2S)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2S)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2S)-3-benzylsulfanyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]propanoate CAS Name: (2S)-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-benzylsulfanyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]propanoate Traditional Name: (2S)-3-(benzylthio)-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)N[C@H](CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O3S2/c1-20-9-8-18-17(20)25-12-15(21)19-14(16(22)23-2)11-24-10-13-6-4-3-5-7-13/h3-9,14H,10-12H2,1-2H3,(H,19,21)/t14-/m1/s1