(phenylmethyl) (2R)-2-[(1R,2S,3S,6S)-2-acetamido-6-acetyloxy-3-oxidanyl-5-oxidanylidene-cyclohexyl]oxypropanoate

Systemtic Name: (phenylmethyl) (2R)-2-[(1R,2S,3S,6S)-2-acetamido-6-acetyloxy-3-oxidanyl-5-oxidanylidene-cyclohexyl]oxypropanoate Openeye Name: benzyl (2R)-2-[(1R,2S,3S,6S)-2-acetamido-6-acetoxy-3-hydroxy-5-oxo-cyclohexoxy]propanoate CAS Name: (2R)-2-[(1R,2S,3S,6S)-2-acetamido-6-acetyloxy-3-hydroxy-5-oxocyclohexyl]oxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(1R,2S,3S,6S)-2-acetamido-6-acetyloxy-3-hydroxy-5-oxocyclohexyl]oxypropanoate Traditional Name: (2R)-2-[(1R,2S,3S,6S)-2-acetamido-6-acetoxy-3-hydroxy-5-keto-cyclohexoxy]propionic acid benzyl ester Formula: C20H25NO8 MolecularWeight: 407.4144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)OC2C(C(CC(=O)C2OC(=O)C)O)NC(=O)C

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=CC=C1)O[C@@H]2[C@H]([C@H](CC(=O)[C@H]2OC(=O)C)O)NC(=O)C

InChI

InChI=1S/C20H25NO8/c1-11(20(26)27-10-14-7-5-4-6-8-14)28-19-17(21-12(2)22)15(24)9-16(25)18(19)29-13(3)23/h4-8,11,15,17-19,24H,9-10H2,1-3H3,(H,21,22)/t11-,15+,17+,18-,19-/m1/s1