(Q82696396)

English

Methyl 7-chloro-6,7,8-trideoxy-6-[(1-methyl-4-propyl-2,5-dihydro-1H-pyrrole-2-carbonyl)amino]-1-thio-beta-L-threo-octopyranoside

group of stereoisomers with the chemical formula C₁₈H₃₁ClN₂O₅S

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Statements

group of stereoisomers

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chemical compound

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422.16422077199996 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₈H₃₁ClN₂O₅S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCC1=CC(C(O)=NC(C(C)Cl)C2OC(SC)C(O)C(O)C2O)N(C)C1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCC1=CC(C(=O)NC(C(C)Cl)C2O[C@H](SC)C(O)[C@H](O)[C@H]2O)N(C)C1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C18H31ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h7,9,11-16,18,22-24H,5-6,8H2,1-4H3,(H,20,25)/t9?,11?,12?,13-,14-,15?,16?,18-/m1/s1

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RMQIGGGBJDZABU-VNCRYVLQSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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