methyl 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoylamino]propanoate CAS Name: 2-[[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoylamino]propanoate Traditional Name: 3-(benzylthio)-2-[2-[(4,6-diphenylpyrimidin-2-yl)thio]butanoylamino]propionic acid methyl ester Formula: C31H31N3O3S2 MolecularWeight: 557.72614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H31N3O3S2/c1-3-28(29(35)32-27(30(36)37-2)21-38-20-22-13-7-4-8-14-22)39-31-33-25(23-15-9-5-10-16-23)19-26(34-31)24-17-11-6-12-18-24/h4-19,27-28H,3,20-21H2,1-2H3,(H,32,35)