4-azanyl-5-octadecoxy-5-oxidanylidene-pentanoate; 2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-octadecoxy-5-oxidanylidene-pentanoate; 2,5-bis(azanyl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-octadecoxy-5-oxo-pentanoate; 2,5-diamino-5-oxo-pentanoic acid CAS Name: 4-amino-5-octadecoxy-5-oxopentanoate; 2,5-diamino-5-oxopentanoic acid IUPAC Name: 4-amino-5-octadecoxy-5-oxopentanoate; 2,5-diamino-5-oxopentanoic acid Traditional Name: 4-amino-5-keto-5-stearyloxy-valerate; 2,5-diamino-5-keto-valeric acid Formula: C28H54N3O7- MolecularWeight: 544.74426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)[O-])N.C(CC(=O)N)C(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCC(=O)[O-])N.C(CC(=O)N)C(C(=O)O)N

InChI

InChI=1S/C23H45NO4.C5H10N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(27)21(24)18-19-22(25)26;6-3(5(9)10)1-2-4(7)8/h21H,2-20,24H2,1H3,(H,25,26);3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1