methyl (2S)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl (2S)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2S)-3-benzylsulfanyl-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]propanoate CAS Name: (2S)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-benzylsulfanyl-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]propanoate Traditional Name: (2S)-3-(benzylthio)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]propionic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N[C@H](CSCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C19H23N3O3S2/c1-13-9-14(2)21-19(20-13)27-12-17(23)22-16(18(24)25-3)11-26-10-15-7-5-4-6-8-15/h4-9,16H,10-12H2,1-3H3,(H,22,23)/t16-/m1/s1