bis[2-(3,4-dioctadecoxyphenyl)ethyl] (2S)-2-azanylpentanedioate

Systemtic Name: bis[2-(3,4-dioctadecoxyphenyl)ethyl] (2S)-2-azanylpentanedioate Openeye Name: bis[2-(3,4-dioctadecoxyphenyl)ethyl] (2S)-2-aminopentanedioate CAS Name: (2S)-2-aminopentanedioic acid bis[2-(3,4-dioctadecoxyphenyl)ethyl] ester IUPAC Name: bis[2-(3,4-dioctadecoxyphenyl)ethyl] (2S)-2-aminopentanedioate Traditional Name: (2S)-2-aminoglutaric acid bis[2-(3,4-distearyloxyphenyl)ethyl] ester Formula: C93H169NO8 MolecularWeight: 1429.33886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CCOC(=O)CCC(C(=O)OCCC2=CC(=C(C=C2)OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)N)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CCOC(=O)CC[C@@H](C(=O)OCCC2=CC(=C(C=C2)OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)N)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C93H169NO8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77-97-88-72-69-85(83-90(88)99-79-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)75-81-101-92(95)74-71-87(94)93(96)102-82-76-86-70-73-89(98-78-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)91(84-86)100-80-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h69-70,72-73,83-84,87H,5-68,71,74-82,94H2,1-4H3/t87-/m0/s1