O22-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-undecanoyloxy-propan-2-yl] O1-(phenylmethyl) (Z)-docos-11-enedioate

Systemtic Name: O22-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-undecanoyloxy-propan-2-yl] O1-(phenylmethyl) (Z)-docos-11-enedioate Openeye Name: O1-benzyl O22-[(1S)-1-[(tert-butoxycarbonylamino)methyl]-2-undecanoyloxy-ethyl] (Z)-docos-11-enedioate CAS Name: (Z)-11-docosenedioic acid O22-[(2S)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1-oxoundecoxy)propan-2-yl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 22-O-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-undecanoyloxypropan-2-yl] (Z)-docos-11-enedioate Traditional Name: (Z)-docos-11-enedioic acid O1-benzyl ester O22-[(1S)-1-[(tert-butoxycarbonylamino)methyl]-2-undecanoyloxy-ethyl] ester Formula: C48H81NO8 MolecularWeight: 800.15864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OCC(CNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCCC=CCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC(=O)OC[C@H](CNC(=O)OC(C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C48H81NO8/c1-5-6-7-8-9-22-25-32-37-45(51)55-41-43(39-49-47(53)57-48(2,3)4)56-46(52)38-33-27-24-21-19-17-15-13-11-10-12-14-16-18-20-23-26-31-36-44(50)54-40-42-34-29-28-30-35-42/h10-11,28-30,34-35,43H,5-9,12-27,31-33,36-41H2,1-4H3,(H,49,53)/b11-10-/t43-/m0/s1