O1-[[3-oxidanyl-6-(4-oxidanylidene-4-phenylmethoxy-2-phenylmethoxycarbonyl-butoxy)-5-(tetradecanoylamino)-4-tetradecanoyloxy-oxan-2-yl]methyl] O5-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Systemtic Name: O1-[[3-oxidanyl-6-(4-oxidanylidene-4-phenylmethoxy-2-phenylmethoxycarbonyl-butoxy)-5-(tetradecanoylamino)-4-tetradecanoyloxy-oxan-2-yl]methyl] O5-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate Openeye Name: O5-benzyl O1-[[6-(4-benzyloxy-2-benzyloxycarbonyl-4-oxo-butoxy)-3-hydroxy-5-(tetradecanoylamino)-4-tetradecanoyloxy-tetrahydropyran-2-yl]methyl] 2-(tert-butoxycarbonylamino)pentanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanedioic acid O1-[[3-hydroxy-6-(4-oxo-4-phenylmethoxy-2-phenylmethoxycarbonylbutoxy)-4-(1-oxotetradecoxy)-5-(1-oxotetradecylamino)-2-oxanyl]methyl] ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-[[3-hydroxy-6-(4-oxo-4-phenylmethoxy-2-phenylmethoxycarbonylbutoxy)-5-(tetradecanoylamino)-4-tetradecanoyloxyoxan-2-yl]methyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate Traditional Name: 2-(tert-butoxycarbonylamino)glutaric acid O1-[[6-(4-benzoxy-2-carbobenzoxy-4-keto-butoxy)-3-hydroxy-5-(tetradecanoylamino)-4-tetradecanoyloxy-tetrahydropyran-2-yl]methyl] ester O5-benzyl ester Formula: C70H104N2O16 MolecularWeight: 1229.57856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)COC(=O)C(CCC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1C(C(C(OC1OCC(CC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)COC(=O)C(CCC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C70H104N2O16/c1-6-8-10-12-14-16-18-20-22-24-35-43-59(73)72-63-65(87-61(75)44-36-25-23-21-19-17-15-13-11-9-7-2)64(77)58(52-84-67(79)57(71-69(80)88-70(3,4)5)45-46-60(74)81-48-53-37-29-26-30-38-53)86-68(63)85-51-56(66(78)83-50-55-41-33-28-34-42-55)47-62(76)82-49-54-39-31-27-32-40-54/h26-34,37-42,56-58,63-65,68,77H,6-25,35-36,43-52H2,1-5H3,(H,71,80)(H,72,73)