(E)-3-[[(2S,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylcarbamoyl]tridec-5-enoic acid

Systemtic Name: (E)-3-[[(2S,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylcarbamoyl]tridec-5-enoic acid Openeye Name: (E)-3-[[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylcarbamoyl]tridec-5-enoic acid CAS Name: (E)-3-[oxo-[[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methylamino]methyl]-5-tridecenoic acid IUPAC Name: (E)-3-[[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylcarbamoyl]tridec-5-enoic acid Traditional Name: (E)-3-[[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylcarbamoyl]tridec-5-enoic acid Formula: C20H35NO8 MolecularWeight: 417.4938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCC(CC(=O)O)C(=O)NCC1(C(C(C(CO1)O)O)O)O

Isomeric SMILES

CCCCCCC/C=C/CC(CC(=O)O)C(=O)NC[C@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O

InChI

InChI=1S/C20H35NO8/c1-2-3-4-5-6-7-8-9-10-14(11-16(23)24)19(27)21-13-20(28)18(26)17(25)15(22)12-29-20/h8-9,14-15,17-18,22,25-26,28H,2-7,10-13H2,1H3,(H,21,27)(H,23,24)/b9-8+/t14?,15-,17-,18+,20+/m1/s1