4-[[(2S)-1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-3-octadecoxy-1-octadecoxycarbonyl-3-oxo-propyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-1,4-dioctadecoxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-1,4-dioctadecoxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(1S)-3-keto-3-stearyloxy-1-stearyloxycarbonyl-propyl]amino]butyric acid Formula: C44H83NO7 MolecularWeight: 738.13232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C[C@@H](C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)O

InChI

InChI=1S/C44H83NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-51-43(49)39-40(45-41(46)35-36-42(47)48)44(50)52-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-39H2,1-2H3,(H,45,46)(H,47,48)/t40-/m0/s1