3-[[2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidin-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-methylsulfanyl-4,6-bis(phenylmethylsulfanyl)pyrimidin-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4,6-bis(benzylsulfanyl)-2-methylsulfanyl-pyrimidine-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(methylthio)-4,6-bis(phenylmethylthio)-5-pyrimidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4,6-bis(benzylsulfanyl)-2-methylsulfanylpyrimidine-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[4,6-bis(benzylthio)-2-(methylthio)pyrimidine-5-carbonyl]amino]propionic acid Formula: C23H23N3O3S3 MolecularWeight: 485.64202

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)NCCC(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)SCC2=CC=CC=C2)C(=O)NCCC(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O3S3/c1-30-23-25-21(31-14-16-8-4-2-5-9-16)19(20(29)24-13-12-18(27)28)22(26-23)32-15-17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,24,29)(H,27,28)