(phenylmethyl) (2S,3R)-3-oxidanyl-2-[[(2S,3R)-2-(phenylmethoxycarbonylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-butanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) (2S,3R)-3-oxidanyl-2-[[(2S,3R)-2-(phenylmethoxycarbonylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-butanoyl]amino]butanoate Openeye Name: benzyl (2S,3R)-2-[[(2S,3R)-2-(benzyloxycarbonylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-butanoyl]amino]-3-hydroxy-butanoate CAS Name: (2S,3R)-3-hydroxy-2-[[(2S,3R)-1-oxo-2-(phenylmethoxycarbonylamino)-3-[[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]butyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-3-hydroxy-2-[[(2S,3R)-2-(phenylmethoxycarbonylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutanoyl]amino]butanoate Traditional Name: (2S,3R)-2-[[(2S,3R)-2-(benzyloxycarbonylamino)-3-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-butanoyl]amino]-3-hydroxy-butyric acid benzyl ester Formula: C57H62N2O12 MolecularWeight: 967.10838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)C(C(C)OC2C(C(C(C(O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)O

InChI

InChI=1S/C57H62N2O12/c1-40(60)49(55(62)68-37-46-29-17-7-18-30-46)58-54(61)50(59-57(63)69-38-47-31-19-8-20-32-47)41(2)70-56-53(67-36-45-27-15-6-16-28-45)52(66-35-44-25-13-5-14-26-44)51(65-34-43-23-11-4-12-24-43)48(71-56)39-64-33-42-21-9-3-10-22-42/h3-32,40-41,48-53,56,60H,33-39H2,1-2H3,(H,58,61)(H,59,63)/t40-,41-,48-,49+,50+,51+,52+,53-,56-/m1/s1