[2-azanyl-1,1,5,14-tetrakis(oxidanyl)-3-oxidanylidene-icos-1-en-4-yl] ethanoate

Systemtic Name: [2-azanyl-1,1,5,14-tetrakis(oxidanyl)-3-oxidanylidene-icos-1-en-4-yl] ethanoate Openeye Name: [1-(2-amino-3,3-dihydroxy-prop-2-enoyl)-2,11-dihydroxy-heptadecyl] acetate CAS Name: acetic acid (2-amino-1,1,5,14-tetrahydroxy-3-oxoeicos-1-en-4-yl) ester IUPAC Name: (2-amino-1,1,5,14-tetrahydroxy-3-oxoicos-1-en-4-yl) acetate Traditional Name: acetic acid [3-amino-1-(1,10-dihydroxyhexadecyl)-4,4-dihydroxy-2-keto-but-3-enyl] ester Formula: C22H41NO7 MolecularWeight: 431.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCC(C(C(=O)C(=C(O)O)N)OC(=O)C)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCC(C(C(=O)C(=C(O)O)N)OC(=O)C)O)O

InChI

InChI=1S/C22H41NO7/c1-3-4-5-10-13-17(25)14-11-8-6-7-9-12-15-18(26)21(30-16(2)24)20(27)19(23)22(28)29/h17-18,21,25-26,28-29H,3-15,23H2,1-2H3