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H-Val-Gln-OH

CAT: 0572-TRC-V191745-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-V191745-10MGSize:10 mg
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CAS Number
42854-54-6
Synonyms
L-Glutamine, L-valyl- (9CI, ACI); L-Glutamine, N2-L-valyl- (ZCI); L-Valyl-L-glutamine (ACI); Glutamine, N2-L-valyl- (7CI); 113: PN: WO2011146121 PAGE: 116 claimed sequence; 27: PN: EP2161028 PAGE: 10 claimed protein; 471: PN: WO2005081628 SEQID: 1580 claimed protein; 8: PN: JP2007217358 SEQID: 8 claimed protein; 98: PN: US20070066537 PAGE: 17 claimed protein
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)N)C(=O)O
Molecular Formula
C10 H19 N3 O4
Molecular Weight
245.276
InChI
InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1
Additionnal Information
IUPAC name: (2S)-5-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-5-oxo-pentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Val-Gln

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

CAS Number42854-54-6
PubChem CID7016045
IUPAC Name(2S)-5-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC10H19N3O4
Molecular Weight245.28
XLogP-4.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity304
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)N
InChI
InChI=1S/C10H19N3O4/c1-5(2)8(12)9(15)13-6(10(16)17)3-4-7(11)14/h5-6,8H,3-4,12H2,1-2H3,(H2,11,14)(H,13,15)(H,16,17)/t6-,8-/m0/s1
InChIKey
XXDVDTMEVBYRPK-XPUUQOCRSA-N
Chemical Structure
2D Structure
2D structure of Val-Gln
CAS: 42854-54-6
CID: 7016045
Formula: C10H19N3O4
MW: 245.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight245.28
XLogP3-4.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass245.13755610
Monoisotopic Mass245.13755610
Topological Polar Surface Area136 Ų
Heavy Atom Count17
Formal Charge0
Complexity304
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