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

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-azido-5-benzyloxy-6-(benzyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tribenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-3-[[(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-1-oxo-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-azido-5-phenylmethoxy-6-(phenylmethoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-3-[(2S,3R,4R,5R,6R)-3-azido-5-benzoxy-6-(benzoxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-[[(2S)-2-(benzyloxycarbonylamino)propanoyl]amino]butanoyl]amino]propionic acid benzyl ester Formula: C79H86N6O16 MolecularWeight: 1375.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OC6C(C(C(C(O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)OCC1=CC=CC=C1)N=[N+]=[N-]

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])C(=O)N[C@@H](C)C(=O)OCC9=CC=CC=C9)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C79H86N6O16/c1-54(82-79(89)97-51-64-42-26-11-27-43-64)74(86)83-67(75(87)81-55(2)76(88)96-50-63-40-24-10-25-41-63)56(3)98-77-68(84-85-80)71(69(92-46-59-32-16-6-17-33-59)65(99-77)52-90-44-57-28-12-4-13-29-57)101-78-73(95-49-62-38-22-9-23-39-62)72(94-48-61-36-20-8-21-37-61)70(93-47-60-34-18-7-19-35-60)66(100-78)53-91-45-58-30-14-5-15-31-58/h4-43,54-56,65-73,77-78H,44-53H2,1-3H3,(H,81,87)(H,82,89)(H,83,86)/t54-,55-,56?,65+,66+,67-,68+,69-,70-,71+,72-,73+,77-,78-/m0/s1