2-azanyl-6-[[4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid

Systemtic Name: 2-azanyl-6-[[4-(octadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid Openeye Name: 2-amino-6-[[5-hydroxy-4-(octadecanoylamino)-5-oxo-pentanoyl]amino]heptanedioic acid CAS Name: 2-amino-6-[[5-hydroxy-1,5-dioxo-4-(1-oxooctadecylamino)pentyl]amino]heptanedioic acid IUPAC Name: 2-amino-6-[[5-hydroxy-4-(octadecanoylamino)-5-oxopentanoyl]amino]heptanedioic acid Traditional Name: 2-amino-6-[(5-hydroxy-5-keto-4-stearamido-pentanoyl)amino]pimelic acid Formula: C30H55N3O8 MolecularWeight: 585.773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H55N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26(34)33-25(30(40)41)21-22-27(35)32-24(29(38)39)19-17-18-23(31)28(36)37/h23-25H,2-22,31H2,1H3,(H,32,35)(H,33,34)(H,36,37)(H,38,39)(H,40,41)