O32-[(2S)-1-hexadecanoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] O1-(phenylmethyl) (Z)-dotriacont-16-enedioate

Systemtic Name: O32-[(2S)-1-hexadecanoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] O1-(phenylmethyl) (Z)-dotriacont-16-enedioate Openeye Name: O1-benzyl O32-[(1S)-1-[(tert-butoxycarbonylamino)methyl]-2-hexadecanoyloxy-ethyl] (Z)-dotriacont-16-enedioate CAS Name: (Z)-16-dotriacontenedioic acid O32-[(2S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-oxohexadecoxy)propan-2-yl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 32-O-[(2S)-1-hexadecanoyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] (Z)-dotriacont-16-enedioate Traditional Name: (Z)-dotriacont-16-enedioic acid O1-benzyl ester O32-[(1S)-1-[(tert-butoxycarbonylamino)methyl]-2-hexadecanoyloxy-ethyl] ester Formula: C63H111NO8 MolecularWeight: 1010.55734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](CNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCCCCCC/C=C\CCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C63H111NO8/c1-5-6-7-8-9-10-11-28-31-35-38-41-47-52-60(66)70-56-58(54-64-62(68)72-63(2,3)4)71-61(67)53-48-42-39-36-33-30-27-25-23-21-19-17-15-13-12-14-16-18-20-22-24-26-29-32-34-37-40-46-51-59(65)69-55-57-49-44-43-45-50-57/h12-13,43-45,49-50,58H,5-11,14-42,46-48,51-56H2,1-4H3,(H,64,68)/b13-12-/t58-/m0/s1