methyl (2R)-2-[[(2R)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoyl]amino]-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[[(2R)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoyl]amino]-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[[(2R)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoyl]amino]-2-phenyl-acetate CAS Name: (2R)-2-[[(2R)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylbutanoyl]amino]-2-phenylacetate Traditional Name: (2R)-2-[[(2R)-2-[(4,6-diphenylpyrimidin-2-yl)thio]butanoyl]amino]-2-phenyl-acetic acid methyl ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C(=O)N[C@H](C1=CC=CC=C1)C(=O)OC)SC2=NC(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H27N3O3S/c1-3-25(27(33)32-26(28(34)35-2)22-17-11-6-12-18-22)36-29-30-23(20-13-7-4-8-14-20)19-24(31-29)21-15-9-5-10-16-21/h4-19,25-26H,3H2,1-2H3,(H,32,33)/t25-,26-/m1/s1