(phenylmethyl) 3-[[(2S)-2,5-bis(hexadecoxycarbonylamino)pentanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(2S)-2,5-bis(hexadecoxycarbonylamino)pentanoyl]amino]propanoate Openeye Name: benzyl 3-[[(2S)-2,5-bis(hexadecoxycarbonylamino)pentanoyl]amino]propanoate CAS Name: 3-[[(2S)-2,5-bis[[hexadecoxy(oxo)methyl]amino]-1-oxopentyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(2S)-2,5-bis(hexadecoxycarbonylamino)pentanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2,5-bis(cetyloxycarbonylamino)pentanoyl]amino]propionic acid benzyl ester Formula: C49H87N3O7 MolecularWeight: 830.23098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NCCCC(C(=O)NCCC(=O)OCC1=CC=CC=C1)NC(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NCCC[C@@H](C(=O)NCCC(=O)OCC1=CC=CC=C1)NC(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H87N3O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-41-57-48(55)51-39-34-37-45(47(54)50-40-38-46(53)59-43-44-35-30-29-31-36-44)52-49(56)58-42-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,35-36,45H,3-28,32-34,37-43H2,1-2H3,(H,50,54)(H,51,55)(H,52,56)/t45-/m0/s1