(Q27165946)

Tubastatin A (English)

9 October 2016

chemical formula

C₂₀H₂₁N₃O₂

1 reference

Tubastatin A (English)

9 October 2016

canonical SMILES

CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=C(C=C4)C(=O)NO

1 reference

Tubastatin A (English)

InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)

9 October 2016

Identifiers

InChI

1 reference

Tubastatin A (English)

9 October 2016

2 references

Tubastatin A (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

tubastatin A (English)

9 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1252003-15-8

8 April 2021

1 reference

Tubastatin A (English)

9 October 2016

2 references

Tubastatin A (English)

9 October 2016

Reaxys registry number

20796421

1 reference

tubastatin A (English)

9 October 2016

ChEBI ID

94186

mapping relation type

2 references

tubastatin A (English)

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)

1 reference

TUBASTATIN A (English)

9 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

Guide to Pharmacology Ligand ID

9702

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Human Metabolome Database ID

5 February 2021

HMDB0259316

2 references

based on heuristic

inferred from InChIKey

UNII

2XTSOX1NF8

1 reference