Basic information
- CAS
943333-68-4- Standard SMILES
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(C(=O)O)C(C)C- InChIKey
ACWBQPMHZXGDFX-UHFFFAOYSA-N- Molecular formula
- C24H29N5O3
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.2270398
Overview
3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)valine
- IUPAC
- 3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
- English name
- Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
- Molecular formula
- C24H29N5O3
- Molecular weight
- 435.52
Names & synonyms
943333-68-4DTXSID30861343N-(1-Oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)valineN-(1-Oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]valineRefChem:1090818DTXCID802087243-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid3-METHYL-2-(N-{[2'-(1H-1,2,3,4-TETRAZOL-5-YL)-[1,1'-BIPHENYL]-4-YL]METHYL}PENTANAMIDO)BUTANOIC ACIDL-ValsartanC24H29N5O3Rac-ValsartanNCGC00095139-01
Show more names
Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
137863-60-6Valsartan-USP CRSSCHEMBL2329SCHEMBL678796SCHEMBL8476946CHEBI:94331HMS3370B04HMS3393L12
Database identifiers
- CAS
943333-68-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 608
Experimental & physicochemical properties
DrugsPharmaceuticals
Physicochemical properties
- Boiling point
- 684.9 · 684.9±65.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- pka
- 3.56 · 3.56±0.10(Predicted)
Chemistry & industry
Suppliers1 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Additional notes
DefinitionChEBI: 3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid is a N-acyl-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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