(phenylmethyl) (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pent-3-enoate

Systemtic Name: (phenylmethyl) (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pent-3-enoate Openeye Name: benzyl (E,2S)-2-(tert-butoxycarbonylamino)-5-[(2R,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pent-3-enoate CAS Name: (E,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]-3-pentenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(2R,3S,4R,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pent-3-enoate Traditional Name: (E,2S)-2-(tert-butoxycarbonylamino)-5-[(2R,3S,4R,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pent-3-enoic acid benzyl ester Formula: C31H41NO13 MolecularWeight: 635.65614

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)CC=CC(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C/C=C/[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H41NO13/c1-18(33)39-17-25-27(42-20(3)35)28(43-21(4)36)26(41-19(2)34)24(44-25)15-11-14-23(32-30(38)45-31(5,6)7)29(37)40-16-22-12-9-8-10-13-22/h8-14,23-28H,15-17H2,1-7H3,(H,32,38)/b14-11+/t23-,24+,25+,26-,27+,28+/m0/s1