methyl (2R)-2-[[2-acetamido-3-(6-pyridin-2-ylpyridin-2-yl)propanoyl]amino]-3-(phenylcarbonylsulfanyl)propanoate

Systemtic Name: methyl (2R)-2-[[2-acetamido-3-(6-pyridin-2-ylpyridin-2-yl)propanoyl]amino]-3-(phenylcarbonylsulfanyl)propanoate Openeye Name: methyl (2R)-2-[[2-acetamido-3-[6-(2-pyridyl)-2-pyridyl]propanoyl]amino]-3-benzoylsulfanyl-propanoate CAS Name: (2R)-2-[[2-acetamido-1-oxo-3-[6-(2-pyridinyl)-2-pyridinyl]propyl]amino]-3-(benzoylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-acetamido-3-(6-pyridin-2-ylpyridin-2-yl)propanoyl]amino]-3-benzoylsulfanylpropanoate Traditional Name: (2R)-2-[[2-acetamido-3-[6-(2-pyridyl)-2-pyridyl]propanoyl]amino]-3-(benzoylthio)propionic acid methyl ester Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC(=N1)C2=CC=CC=N2)C(=O)NC(CSC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC=CC(=N1)C2=CC=CC=N2)C(=O)N[C@@H](CSC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H26N4O5S/c1-17(31)28-22(15-19-11-8-13-21(29-19)20-12-6-7-14-27-20)24(32)30-23(25(33)35-2)16-36-26(34)18-9-4-3-5-10-18/h3-14,22-23H,15-16H2,1-2H3,(H,28,31)(H,30,32)/t22?,23-/m0/s1