methyl (2S)-2-[(2-benzamido-2-pyridin-2-ylsulfanyl-ethanoyl)amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2-benzamido-2-pyridin-2-ylsulfanyl-ethanoyl)amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-benzamido-2-(2-pyridylsulfanyl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-benzamido-1-oxo-2-(2-pyridinylthio)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzamido-2-pyridin-2-ylsulfanylacetyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-benzamido-2-(2-pyridylthio)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(NC(=O)C2=CC=CC=C2)SC3=CC=CC=N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(NC(=O)C2=CC=CC=C2)SC3=CC=CC=N3

InChI

InChI=1S/C24H23N3O4S/c1-31-24(30)19(16-17-10-4-2-5-11-17)26-22(29)23(32-20-14-8-9-15-25-20)27-21(28)18-12-6-3-7-13-18/h2-15,19,23H,16H2,1H3,(H,26,29)(H,27,28)/t19-,23?/m0/s1