tert-butyl 3-[[(2S)-2,6-bis(hexadecoxycarbonylamino)hexanoyl]amino]propanoate

Systemtic Name: tert-butyl 3-[[(2S)-2,6-bis(hexadecoxycarbonylamino)hexanoyl]amino]propanoate Openeye Name: tert-butyl 3-[[(2S)-2,6-bis(hexadecoxycarbonylamino)hexanoyl]amino]propanoate CAS Name: 3-[[(2S)-2,6-bis[[hexadecoxy(oxo)methyl]amino]-1-oxohexyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2S)-2,6-bis(hexadecoxycarbonylamino)hexanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2,6-bis(cetyloxycarbonylamino)hexanoyl]amino]propionic acid tert-butyl ester Formula: C47H91N3O7 MolecularWeight: 810.24134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)NCCCCC(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)NCCCC[C@@H](C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C47H91N3O7/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-34-40-55-45(53)49-38-33-32-36-42(44(52)48-39-37-43(51)57-47(3,4)5)50-46(54)56-41-35-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3,(H,48,52)(H,49,53)(H,50,54)/t42-/m0/s1