[2,6-bis(azanyl)-1,7-bis(oxidanyl)-3,5-bis(oxidanylidene)heptan-4-yl]azanium; (E)-octadec-9-enoate

Systemtic Name: [2,6-bis(azanyl)-1,7-bis(oxidanyl)-3,5-bis(oxidanylidene)heptan-4-yl]azanium; (E)-octadec-9-enoate Openeye Name: [3-amino-1-(2-amino-3-hydroxy-propanoyl)-4-hydroxy-2-oxo-butyl]ammonium; (E)-octadec-9-enoate CAS Name: (2,6-diamino-1,7-dihydroxy-3,5-dioxoheptan-4-yl)ammonium; (E)-9-octadecenoate IUPAC Name: (2,6-diamino-1,7-dihydroxy-3,5-dioxoheptan-4-yl)azanium; (E)-octadec-9-enoate Traditional Name: [3-amino-1-(2-amino-3-hydroxy-propanoyl)-4-hydroxy-2-keto-butyl]ammonium; (E)-octadec-9-enoate Formula: C25H49N3O6 MolecularWeight: 487.67306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C(C(C(=O)C(C(=O)C(CO)N)[NH3+])N)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C(C(C(=O)C(C(=O)C(CO)N)[NH3+])N)O

InChI

InChI=1S/C18H34O2.C7H15N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-3(1-11)6(13)5(10)7(14)4(9)2-12/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-5,11-12H,1-2,8-10H2/b10-9+;