(phenylmethyl) (2S)-2-[[4-(dioctadecylcarbamoyl)phenyl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-(dioctadecylcarbamoyl)phenyl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[4-(dioctadecylcarbamoyl)benzoyl]amino]propanoate CAS Name: (2S)-2-[[[4-[(dioctadecylamino)-oxomethyl]phenyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-(dioctadecylcarbamoyl)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[4-(distearylcarbamoyl)benzoyl]amino]propionic acid benzyl ester Formula: C54H90N2O4 MolecularWeight: 831.3034

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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)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C(=O)N[C@@H](C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C54H90N2O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-45-56(46-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)53(58)51-43-41-50(42-44-51)52(57)55-48(3)54(59)60-47-49-39-35-34-36-40-49/h34-36,39-44,48H,4-33,37-38,45-47H2,1-3H3,(H,55,57)/t48-/m0/s1