(4S)-4-(2-oxidanylidenehexadecanoylamino)octanoic acid

Systemtic Name: (4S)-4-(2-oxidanylidenehexadecanoylamino)octanoic acid Openeye Name: (4S)-4-(2-oxohexadecanoylamino)octanoic acid CAS Name: (4S)-4-(1,2-dioxohexadecylamino)octanoic acid IUPAC Name: (4S)-4-(2-oxohexadecanoylamino)octanoic acid Traditional Name: (4S)-4-(2-ketohexadecanoylamino)caprylic acid Formula: C24H45NO4 MolecularWeight: 411.6184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H45NO4/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/h21H,3-20H2,1-2H3,(H,25,29)(H,27,28)/t21-/m0/s1