[hexadecanoyl-[(5S)-6-methoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino] hexadecanoate

Systemtic Name: [hexadecanoyl-[(5S)-6-methoxy-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino] hexadecanoate Openeye Name: [[(5S)-5-(benzyloxycarbonylamino)-6-methoxy-6-oxo-hexyl]-hexadecanoyl-amino] hexadecanoate CAS Name: hexadecanoic acid [[(5S)-6-methoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]-(1-oxohexadecyl)amino] ester IUPAC Name: [hexadecanoyl-[(5S)-6-methoxy-6-oxo-5-(phenylmethoxycarbonylamino)hexyl]amino] hexadecanoate Traditional Name: palmitic acid [[(5S)-5-(benzyloxycarbonylamino)-6-keto-6-methoxy-hexyl]-hexadecanoyl-amino] ester Formula: C47H82N2O7 MolecularWeight: 787.16318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC)NC(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C47H82N2O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-31-38-44(50)49(56-45(51)39-32-27-25-23-21-19-17-15-13-11-9-7-5-2)40-34-33-37-43(46(52)54-3)48-47(53)55-41-42-35-29-28-30-36-42/h28-30,35-36,43H,4-27,31-34,37-41H2,1-3H3,(H,48,53)/t43-/m0/s1