(3,4,5-trioctadecoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate

Systemtic Name: (3,4,5-trioctadecoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Openeye Name: (3,4,5-trioctadecoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate CAS Name: (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid (3,4,5-trioctadecoxyphenyl)methyl ester IUPAC Name: (3,4,5-trioctadecoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid (3,4,5-tristearyloxybenzyl) ester Formula: C79H131NO7 MolecularWeight: 1206.88794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C(C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)[C@H](C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C79H131NO7/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-54-61-83-75-64-69(66-86-78(81)68(4)80-79(82)87-67-74-72-59-52-50-57-70(72)71-58-51-53-60-73(71)74)65-76(84-62-55-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)77(75)85-63-56-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h50-53,57-60,64-65,68,74H,5-49,54-56,61-63,66-67H2,1-4H3,(H,80,82)/t68-/m0/s1