5-azanyl-2-(octadecanoylamino)-4-oxidanyl-pentanoic acid

Systemtic Name: 5-azanyl-2-(octadecanoylamino)-4-oxidanyl-pentanoic acid Openeye Name: 5-amino-4-hydroxy-2-(octadecanoylamino)pentanoic acid CAS Name: 5-amino-4-hydroxy-2-(1-oxooctadecylamino)pentanoic acid IUPAC Name: 5-amino-4-hydroxy-2-(octadecanoylamino)pentanoic acid Traditional Name: 5-amino-4-hydroxy-2-stearamido-valeric acid Formula: C23H46N2O4 MolecularWeight: 414.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC(CN)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC(CN)O)C(=O)O

InChI

InChI=1S/C23H46N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)25-21(23(28)29)18-20(26)19-24/h20-21,26H,2-19,24H2,1H3,(H,25,27)(H,28,29)