2,3-bis(azanyl)-2-octadecanoyl-4-oxidanylidene-henicosanoic acid

Systemtic Name: 2,3-bis(azanyl)-2-octadecanoyl-4-oxidanylidene-henicosanoic acid Openeye Name: 2,3-diamino-2-octadecanoyl-4-oxo-henicosanoic acid CAS Name: 2,3-diamino-4-oxo-2-(1-oxooctadecyl)heneicosanoic acid IUPAC Name: 2,3-diamino-2-octadecanoyl-4-oxohenicosanoic acid Traditional Name: 2,3-diamino-4-keto-2-stearoyl-heneicosanoic acid Formula: C39H76N2O4 MolecularWeight: 637.03174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)O)N)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C(=O)CCCCCCCCCCCCCCCCC)(C(=O)O)N)N

InChI

InChI=1S/C39H76N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(42)37(40)39(41,38(44)45)36(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-34,40-41H2,1-2H3,(H,44,45)