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

Systemtic Name: 3-phenyl-2-[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]ethanoylamino]propanoic acid Openeye Name: 3-phenyl-2-[[2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]acetyl]amino]propanoic acid CAS Name: 2-[[1-oxo-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]acetyl]amino]propanoic acid Traditional Name: 3-phenyl-2-[[2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]acetyl]amino]propionic acid Formula: C25H31NO12 MolecularWeight: 537.51314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)CC(=O)NC(CC2=CC=CC=C2)C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C25H31NO12/c1-13(27)34-12-20-23(36-15(3)29)24(37-16(4)30)22(35-14(2)28)19(38-20)11-21(31)26-18(25(32)33)10-17-8-6-5-7-9-17/h5-9,18-20,22-24H,10-12H2,1-4H3,(H,26,31)(H,32,33)