O1-methyl O5-(phenylmethyl) (2S)-2-[[(2R)-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(2-tetradecylhexadecanoylamino)propanoyl]amino]pentanedioate

Systemtic Name: O1-methyl O5-(phenylmethyl) (2S)-2-[[(2R)-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(2-tetradecylhexadecanoylamino)propanoyl]amino]pentanedioate Openeye Name: O5-benzyl O1-methyl (2S)-2-[[(2R)-2-(2-tetradecylhexadecanoylamino)-3-[(2R,3S,4R,5R,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-propanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2R)-3-[[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)-2-oxanyl]oxy]-1-oxo-2-[(1-oxo-2-tetradecylhexadecyl)amino]propyl]amino]pentanedioic acid O1-methyl ester O5-(phenylmethyl) ester IUPAC Name: 5-O-benzyl 1-O-methyl (2S)-2-[[(2R)-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(2-tetradecylhexadecanoylamino)propanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2R)-2-(2-myristylhexadecanoylamino)-3-[(2R,3S,4R,5R,6S)-3,4,5-tribenzoxy-6-methyl-tetrahydropyran-2-yl]oxy-propanoyl]amino]glutaric acid O5-benzyl ester O1-methyl ester Formula: C73H108N2O11 MolecularWeight: 1189.64542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NC(COC1C(C(C(C(O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)NC(CCC(=O)OCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C(=O)N[C@@H](CCC(=O)OCC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C73H108N2O11/c1-5-7-9-11-13-15-17-19-21-23-25-39-49-63(50-40-26-24-22-20-18-16-14-12-10-8-6-2)70(77)75-65(71(78)74-64(72(79)80-4)51-52-66(76)81-53-59-41-31-27-32-42-59)57-85-73-69(84-56-62-47-37-30-38-48-62)68(83-55-61-45-35-29-36-46-61)67(58(3)86-73)82-54-60-43-33-28-34-44-60/h27-38,41-48,58,63-65,67-69,73H,5-26,39-40,49-57H2,1-4H3,(H,74,78)(H,75,77)/t58-,64-,65+,67+,68+,69-,73+/m0/s1