(Q82622685)

English

tert-Butyl (2S,3R)-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)butanoate (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

672.2795288600001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₀N₄O₉

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based on heuristic

inferred from SMILES

canonical SMILES

CC(OC1OC2COC(c3ccccc3)OC2C(O)C1N=[N+]=[N-])C(N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

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

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H40N4O9/c1-20(46-34-29(39-40-37)30(41)31-27(47-34)19-44-33(48-31)21-12-6-5-7-13-21)28(32(42)49-36(2,3)4)38-35(43)45-18-26-24-16-10-8-14-22(24)23-15-9-11-17-25(23)26/h5-17,20,26-31,33-34,41H,18-19H2,1-4H3,(H,38,43)/t20-,27+,28+,29+,30-,31+,33?,34+/m1/s1

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InChIKey

BPJMKNVMUZHIFM-HMAUQUTRSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID60644424

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(Q82622685)

tert-Butyl (2S,3R)-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)butanoate (non-preferred name)

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