methyl (2S,3R,5R)-3-acetamido-2-acetyloxy-5-oxidanyl-8-phenyl-octanoate

Systemtic Name: methyl (2S,3R,5R)-3-acetamido-2-acetyloxy-5-oxidanyl-8-phenyl-octanoate Openeye Name: methyl (2S,3R,5R)-3-acetamido-2-acetoxy-5-hydroxy-8-phenyl-octanoate CAS Name: (2S,3R,5R)-3-acetamido-2-acetyloxy-5-hydroxy-8-phenyloctanoic acid methyl ester IUPAC Name: methyl (2S,3R,5R)-3-acetamido-2-acetyloxy-5-hydroxy-8-phenyloctanoate Traditional Name: (2S,3R,5R)-3-acetamido-2-acetoxy-5-hydroxy-8-phenyl-caprylic acid methyl ester Formula: C19H27NO6 MolecularWeight: 365.42078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(CCCC1=CC=CC=C1)O)C(C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)N[C@H](C[C@@H](CCCC1=CC=CC=C1)O)[C@@H](C(=O)OC)OC(=O)C

InChI

InChI=1S/C19H27NO6/c1-13(21)20-17(18(19(24)25-3)26-14(2)22)12-16(23)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,16-18,23H,7,10-12H2,1-3H3,(H,20,21)/t16-,17-,18+/m1/s1