5-[[(2S)-1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[(2S)-1,4-dioctadecoxy-1,4-bis(oxidanylidene)butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(1S)-3-octadecoxy-1-octadecoxycarbonyl-3-oxo-propyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[(2S)-1,4-dioctadecoxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[(2S)-1,4-dioctadecoxy-1,4-dioxobutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[(1S)-3-keto-3-stearyloxy-1-stearyloxycarbonyl-propyl]amino]valeric acid Formula: C45H85NO7 MolecularWeight: 752.1589

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H85NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-52-44(50)40-41(46-42(47)36-35-37-43(48)49)45(51)53-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3,(H,46,47)(H,48,49)/t41-/m0/s1