(Q82969352)

English

(4-Nitrophenyl)methyl 6-(1-hydroxyethyl)-3-{[2-({hydroxy[(4-nitrophenyl)methoxy]methylidene}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

group of stereoisomers with the chemical formula C₂₆H₂₆N₄O₁₀S

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

586.136964032 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₆N₄O₁₀S

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based on heuristic

inferred from SMILES

canonical SMILES

CC(O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCN=C(O)OCc3ccc([N+](=O)[O-])cc3)CC12

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H](O)C1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(SCCNC(=O)OCc3ccc([N+](=O)[O-])cc3)C[C@H]12

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H26N4O10S/c1-15(31)22-20-12-21(41-11-10-27-26(34)40-14-17-4-8-19(9-5-17)30(37)38)23(28(20)24(22)32)25(33)39-13-16-2-6-18(7-3-16)29(35)36/h2-9,15,20,22,31H,10-14H2,1H3,(H,27,34)/t15-,20-,22?/m1/s1

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InChIKey

GOIVJQWRIDIJOW-LDHILPOSSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101409822

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(Q82969352)

(4-Nitrophenyl)methyl 6-(1-hydroxyethyl)-3-{[2-({hydroxy[(4-nitrophenyl)methoxy]methylidene}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

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