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H-Asn-Val-OH

CAT: 1299-RM-A048210-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A048210-01Size:10 mg
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CAS Number
145314-87-0
Synonyms
L-asparaginyl-L-valine
Molecular Formula
C9H17N3O4
Molecular Weight
231.25
Target Alternative Name
Asparaginyl
Product Name Synonym
L-asparaginyl-L-valine

Chemical Information

Asn-Val

Asn-Val is a dipeptide formed from L-asparagine and L-valine residues. It has a role as a metabolite.

CAS Number145314-87-0
PubChem CID7019993
IUPAC Name(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoic acid
Molecular FormulaC9H17N3O4
Molecular Weight231.25
XLogP-5.3
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity290
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C9H17N3O4/c1-4(2)7(9(15)16)12-8(14)5(10)3-6(11)13/h4-5,7H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t5-,7-/m0/s1
InChIKey
KWBQPGIYEZKDEG-FSPLSTOPSA-N
Chemical Structure
2D Structure
2D structure of Asn-Val
CAS: 145314-87-0
CID: 7019993
Formula: C9H17N3O4
MW: 231.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight231.25
XLogP3-5.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass231.12190603
Monoisotopic Mass231.12190603
Topological Polar Surface Area136 Ų
Heavy Atom Count16
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes