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

Systemtic Name: methyl (2R)-2-[[2-acetamido-3-(6-pyridin-2-ylpyridin-2-yl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl (2R)-2-[[2-acetamido-3-[6-(2-pyridyl)-2-pyridyl]propanoyl]amino]-3-benzylsulfanyl-propanoate CAS Name: (2R)-2-[[2-acetamido-1-oxo-3-[6-(2-pyridinyl)-2-pyridinyl]propyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-acetamido-3-(6-pyridin-2-ylpyridin-2-yl)propanoyl]amino]-3-benzylsulfanylpropanoate Traditional Name: (2R)-2-[[2-acetamido-3-[6-(2-pyridyl)-2-pyridyl]propanoyl]amino]-3-(benzylthio)propionic acid methyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC(=N1)C2=CC=CC=N2)C(=O)NC(CSCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC=CC(=N1)C2=CC=CC=N2)C(=O)N[C@@H](CSCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H28N4O4S/c1-18(31)28-23(15-20-11-8-13-22(29-20)21-12-6-7-14-27-21)25(32)30-24(26(33)34-2)17-35-16-19-9-4-3-5-10-19/h3-14,23-24H,15-17H2,1-2H3,(H,28,31)(H,30,32)/t23?,24-/m0/s1