(E)-6-[[4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hept-3-enedioic acid

Systemtic Name: (E)-6-[[4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]hept-3-enedioic acid Openeye Name: (E)-6-[[5-hydroxy-4-(octadecanoylamino)-5-oxo-pentanoyl]amino]hept-3-enedioic acid CAS Name: (E)-6-[[5-hydroxy-1,5-dioxo-4-(1-oxooctadecylamino)pentyl]amino]-3-heptenedioic acid IUPAC Name: (E)-6-[[5-hydroxy-4-(octadecanoylamino)-5-oxopentanoyl]amino]hept-3-enedioic acid Traditional Name: (E)-6-[(5-hydroxy-5-keto-4-stearamido-pentanoyl)amino]hept-3-enedioic acid Formula: C30H52N2O8 MolecularWeight: 568.74248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(C/C=C/CC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C30H52N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(33)32-25(30(39)40)22-23-27(34)31-24(29(37)38)19-17-18-21-28(35)36/h17-18,24-25H,2-16,19-23H2,1H3,(H,31,34)(H,32,33)(H,35,36)(H,37,38)(H,39,40)/b18-17+