(Q82622686)

English

tert-Butyl (2S)-3-{[(4aS,6S,7S,8R,8aR)-7-azido-8-hydroxy-2-phenylhexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoate (non-preferred name)

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

658.2638787960001 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₃₈N₄O₉

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(C)OC(=O)C(COC1OC2COC(c3ccccc3)OC2C(O)C1N=[N+]=[N-])N=C(O)OCC1c2ccccc2-c2ccccc21

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)(C)OC(=O)[C@H](CO[C@H]1O[C@H]2COC(c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1N=[N+]=[N-])N=C(O)OCC1c2ccccc2-c2ccccc21

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C35H38N4O9/c1-35(2,3)48-31(41)26(37-34(42)45-17-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25)18-43-33-28(38-39-36)29(40)30-27(46-33)19-44-32(47-30)20-11-5-4-6-12-20/h4-16,25-30,32-33,40H,17-19H2,1-3H3,(H,37,42)/t26-,27-,28-,29+,30-,32?,33-/m0/s1

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InChIKey

FJYOABRVKHDUNV-GPZBHNSLSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID20644425

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(Q82622686)

tert-Butyl (2S)-3-{[(4aS,6S,7S,8R,8aR)-7-azido-8-hydroxy-2-phenylhexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoate (non-preferred name)

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Identifiers

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