Compound Summary


  Compound Information
 ATPO

Compound Name:

ATPO

Compound CID:

4615193

Synonyms:

ATPO

252930-37-3

ATPO (S enantiomer)

2-amino-3-5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-ylpropanoic acid

(S)-ATPO

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Iupac Name:

2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid

InChI:

InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)

InChIKey:

AGSOOCUNMTYPSE-UHFFFAOYSA-N

Canonical Smiles:

CC(C)(C)C1=C(C(=NO1)OCP(=O)(O)O)CC(C(=O)O)N

Isomeric Smiles:

CC(C)(C)C1=C(C(=NO1)OCP(=O)(O)O)CC(C(=O)O)N

Molecular Weight:

322.25

Molecular Formula:

C11H19N2O7P

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 ATPO

Molecular Weight:

322.25

Molecular Formula:

C11H19N2O7P

Hydrogen Bond Donor Count:

4

Hydrogen Bond Acceptor Count:

9

Rotatable Bond Count:

7

Heavy Atom Count:

21

Complexity:

419

  Synonyms
 ATPO

ATPO ATPO

ATPO

252930-37-3

ATPO (S enantiomer)

2-amino-3-5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-ylpropanoic acid

(S)-ATPO

(R,S)-2-Amino-3-5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolylpropionic acid

ATPO, solid

Lopac0_000092

CHEMBL265301

GTPL4141

SCHEMBL4318475

DTXSID70404915

HMS3260C06

HMS3261F20

CKA93037

Tox21_500092

Tox21_500589

MFCD03452828

AKOS037515515

CCG-204187

LP00092

LP00589

SDCCGSBI-0050080.P002

NCGC00015093-02

NCGC00015093-03

NCGC00015093-04

NCGC00015093-05

NCGC00093594-01

NCGC00093594-02

NCGC00260777-01

NCGC00261274-01

EU-0100092

A 7845

SR-01000075689

SR-01000075689-1

2-Amino-3-3-(phosphonomethoxy)-5-tert-butylisoxazole-4-ylpropionic acid

  Experimental Data
 ATPO

Species Dosage Unit CG Lifespan(AVG/MED days) TG Lifespan(AVG/MED days) Lifespan Change(AVG/MED%) CG Lifespan(MAX days) TG Lifespan(MAX days) Lifespan Change(MAX%) Significant Strain Gender PubMed Active Label
Caenorhabditis elegans 33 umol/L -4 NS N2 24134630 Inactive
  Experimental Data Visualization
 ATPO

  Statistics Data
 ATPO

Species Lifespan Change(AVG/MED%) Lifespan Change(MAX%) Count Reference Count Data point
Caenorhabditis elegans -4 1 1
  Statistics Data Visualization
 ATPO