2-azanyl-11-[[4-(icosanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]dodecanedioic acid

Systemtic Name: 2-azanyl-11-[[4-(icosanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]dodecanedioic acid Openeye Name: 2-amino-11-[[5-hydroxy-4-(icosanoylamino)-5-oxo-pentanoyl]amino]dodecanedioic acid CAS Name: 2-amino-11-[[5-hydroxy-1,5-dioxo-4-(1-oxoeicosylamino)pentyl]amino]dodecanedioic acid IUPAC Name: 2-amino-11-[[5-hydroxy-4-(icosanoylamino)-5-oxopentanoyl]amino]dodecanedioic acid Traditional Name: 2-amino-11-[[4-(eicosanoylamino)-5-hydroxy-5-keto-pentanoyl]amino]dodecanedioic acid Formula: C37H69N3O8 MolecularWeight: 683.95906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CCCCCCCCC(C(=O)O)N)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)NC(CCCCCCCCC(C(=O)O)N)C(=O)O)C(=O)O

InChI

InChI=1S/C37H69N3O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-33(41)40-32(37(47)48)28-29-34(42)39-31(36(45)46)26-23-20-18-17-19-22-25-30(38)35(43)44/h30-32H,2-29,38H2,1H3,(H,39,42)(H,40,41)(H,43,44)(H,45,46)(H,47,48)