(2S)-2-[[4-(dioctadecylcarbamoyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[4-(dioctadecylcarbamoyl)phenyl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[4-(dioctadecylcarbamoyl)benzoyl]amino]propanoic acid CAS Name: (2S)-2-[[[4-[(dioctadecylamino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[4-(dioctadecylcarbamoyl)benzoyl]amino]propanoic acid Traditional Name: (2S)-2-[[4-(distearylcarbamoyl)benzoyl]amino]propionic acid Formula: C47H84N2O4 MolecularWeight: 741.18086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C47H84N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-49(46(51)44-38-36-43(37-39-44)45(50)48-42(3)47(52)53)41-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-39,42H,4-35,40-41H2,1-3H3,(H,48,50)(H,52,53)/t42-/m0/s1