(phenylmethyl) (2S)-2-[[(2R,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2R,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxan-2-yl]carbonylamino]propanoate Openeye Name: benzyl (2S)-2-[[(2R,4S,5R,6R)-5-acetamido-2,4-diacetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(2R,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]-2-oxanyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2R,4S,5R,6R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(2R,4S,5R,6R)-5-acetamido-2,4-diacetoxy-6-[(1S,2R)-1,2,3-triacetoxypropyl]tetrahydropyran-2-carbonyl]amino]propionic acid benzyl ester Formula: C31H40N2O15 MolecularWeight: 680.6537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2(CC(C(C(O2)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H40N2O15/c1-16(29(40)43-14-23-11-9-8-10-12-23)32-30(41)31(47-22(7)39)13-24(44-19(4)36)26(33-17(2)34)28(48-31)27(46-21(6)38)25(45-20(5)37)15-42-18(3)35/h8-12,16,24-28H,13-15H2,1-7H3,(H,32,41)(H,33,34)/t16-,24-,25+,26+,27+,28+,31-/m0/s1