2-azanyl-6-[[5-oxidanyl-5-oxidanylidene-2-(pentadecanoylamino)pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-azanyl-6-[[5-oxidanyl-5-oxidanylidene-2-(pentadecanoylamino)pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[5-hydroxy-5-oxo-2-(pentadecanoylamino)pentanoyl]amino]heptanedioic acid CAS Name: 2-amino-6-[[5-hydroxy-1,5-dioxo-2-(1-oxopentadecylamino)pentyl]amino]heptanedioic acid IUPAC Name: 2-amino-6-[[5-hydroxy-5-oxo-2-(pentadecanoylamino)pentanoyl]amino]heptanedioic acid Traditional Name: 2-amino-6-[[5-hydroxy-5-keto-2-(pentadecanoylamino)pentanoyl]amino]pimelic acid Formula: C27H49N3O8 MolecularWeight: 543.69326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H49N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23(31)29-21(18-19-24(32)33)25(34)30-22(27(37)38)16-14-15-20(28)26(35)36/h20-22H,2-19,28H2,1H3,(H,29,31)(H,30,34)(H,32,33)(H,35,36)(H,37,38)