sq-28429 (Q27262730)

UNII-5Q55M3D9UA (English)

2-[[1-(2-amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid

14 October 2016

stereoisomer of

1 reference

1 reference

C₁₃H₁₇N₅O₈S₂

1 reference

UNII-5Q55M3D9UA (English)

14 October 2016

canonical SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)O)C2=CSC(=N2)N

1 reference

UNII-5Q55M3D9UA (English)

14 October 2016

isomeric SMILES

C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C2=CSC(=N2)N

1 reference

UNII-5Q55M3D9UA (English)

InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-5Q55M3D9UA (English)

WZPBZJONDBGPKJ-IYZXUIDESA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-5Q55M3D9UA (English)

14 October 2016

1 reference

UNII

5Q55M3D9UA

sq-28429 (English)

14 October 2016

1 reference

(2S,3S)-3-{[(2E)-2-(2-Ammonio-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-2-methyl-4-oxo-1-azetidinesulfonate (English)

14 October 2016

1 reference

UNII-5Q55M3D9UA (English)

14 October 2016

1 reference

matched by identifier from

CHEMBL410081 (English)

14 October 2016

2 references

inferred from InChIKey

InChIKey

WZPBZJONDBGPKJ-IYZXUIDESA-N

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

5Q55M3D9UA