2-[[4-[2-(octadecanoylamino)propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-[[4-[2-(octadecanoylamino)propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-[[5-hydroxy-4-[2-(octadecanoylamino)propanoylamino]-5-oxo-pentanoyl]amino]heptanedioic acid CAS Name: 2-[[5-hydroxy-1,5-dioxo-4-[[1-oxo-2-(1-oxooctadecylamino)propyl]amino]pentyl]amino]heptanedioic acid IUPAC Name: 2-[[5-hydroxy-4-[2-(octadecanoylamino)propanoylamino]-5-oxopentanoyl]amino]heptanedioic acid Traditional Name: 2-[[5-hydroxy-5-keto-4-(2-stearamidopropanoylamino)pentanoyl]amino]pimelic acid Formula: C33H59N3O9 MolecularWeight: 641.83626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H59N3O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(37)34-25(2)31(41)36-27(33(44)45)23-24-29(38)35-26(32(42)43)20-18-19-22-30(39)40/h25-27H,3-24H2,1-2H3,(H,34,37)(H,35,38)(H,36,41)(H,39,40)(H,42,43)(H,44,45)