thymectacin (Q7799611)

Thymectacin (English)

14 October 2016

chemical formula

C₂₁H₂₅BrN₃O₉P

1 reference

Thymectacin (English)

14 October 2016

canonical SMILES

CC(C(=O)OC)NP(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C=CBr)O)OC3=CC=CC=C3

1 reference

Thymectacin (English)

14 October 2016

isomeric SMILES

C[C@@H](C(=O)OC)NP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)/C=C/Br)O)OC3=CC=CC=C3

1 reference

Thymectacin (English)

InChI=1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35?/m0/s1

14 October 2016

Commons category

Thymectacin

0 references

Identifiers

InChI

1 reference

Thymectacin (English)

14 October 2016

1 reference

Global Substance Registration System

Thymectacin (English)

14 October 2016

2 references

UNII

2ZRZ4TSW3F

thymectacin (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=232925-18-7

10 April 2021

1 reference

Thymectacin (English)

14 October 2016

2 references

Thymectacin (English)

14 October 2016

SureChEMBL ID

SCHEMBL13904642

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

1 reference

Thymectacin (English)

publication date

3 July 2018

DB05116

1 reference

Global Substance Registration System

UNII

2ZRZ4TSW3F

2 references

stated in

UNII

2ZRZ4TSW3F

thymectacin (English)

14 October 2016