4-[[(2S)-1,5-didodecoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-1,5-didodecoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-4-dodecoxy-1-dodecoxycarbonyl-4-oxo-butyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-1,5-didodecoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-1,5-didodecoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[(1S)-4-keto-4-lauryloxy-1-lauryloxycarbonyl-butyl]amino]butyric acid Formula: C33H61NO7 MolecularWeight: 583.83994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCC)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCC)NC(=O)CCC(=O)O

InChI

InChI=1S/C33H61NO7/c1-3-5-7-9-11-13-15-17-19-21-27-40-32(38)26-23-29(34-30(35)24-25-31(36)37)33(39)41-28-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H,34,35)(H,36,37)/t29-/m0/s1