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(E,4S)-4-(2-oxidanylidenehexadecanoylamino)oct-2-enoic acid

(E,4S)-4-(2-oxidanylidenehexadecanoylamino)oct-2-enoic acid

Systemtic Name:(E,4S)-4-(2-oxidanylidenehexadecanoylamino)oct-2-enoic acid
Openeye Name:(E,4S)-4-(2-oxohexadecanoylamino)oct-2-enoic acid
CAS Name:(E,4S)-4-(1,2-dioxohexadecylamino)-2-octenoic acid
IUPAC Name:(E,4S)-4-(2-oxohexadecanoylamino)oct-2-enoic acid
Traditional Name:(E,4S)-4-(2-ketohexadecanoylamino)oct-2-enoic acid
Formula: C24H43NO4
MolecularWeight: 409.60252
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C(=O)NC(CCCC)C=CC(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CCCC)/C=C/C(=O)O


InChI

InChI=1S/C24H43NO4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22(26)24(29)25-21(17-6-4-2)19-20-23(27)28/h19-21H,3-18H2,1-2H3,(H,25,29)(H,27,28)/b20-19+/t21-/m0/s1


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