3-phenyl-2-[2-[3,4,5-triacetyloxy-6-(hydroxymethyl)oxan-2-yl]ethanoylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[2-[3,4,5-triacetyloxy-6-(hydroxymethyl)oxan-2-yl]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-[3,4,5-triacetoxy-6-(hydroxymethyl)tetrahydropyran-2-yl]acetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[3,4,5-triacetyloxy-6-(hydroxymethyl)-2-oxanyl]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-[3,4,5-triacetyloxy-6-(hydroxymethyl)oxan-2-yl]acetyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[2-(3,4,5-triacetoxy-6-methylol-tetrahydropyran-2-yl)acetyl]amino]propionic acid Formula: C23H29NO11 MolecularWeight: 495.47646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)CO)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)CO)CC(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H29NO11/c1-12(26)32-20-17(35-18(11-25)21(33-13(2)27)22(20)34-14(3)28)10-19(29)24-16(23(30)31)9-15-7-5-4-6-8-15/h4-8,16-18,20-22,25H,9-11H2,1-3H3,(H,24,29)(H,30,31)