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H-Met-Thr-OH

CAT: 0804-HY-P4438Size: 1 EachDry Ice: NoHazardous: No
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Description
H-Met-Thr-OH is a dipeptide[1].
CAS Number
40883-16-7
UNSPSC
12352209
Target
Others
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/h-met-thr-oh.html
Solubility
10 mM in DMSO
Smiles
CSCC[C@H](N)C(N[C@H](C(O)=O)[C@H](O)C)=O
Molecular Formula
C9H18N2O4S
Molecular Weight
250.32
References & Citations
[1]A. Tahan, et al. Thermochemistry and NBO analysis of peptide bond: Investigation of basis sets and binding energy. Russian Journal of Physical Chemistry A volume 83, pages587–597 (2009)
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Met-Thr

Met-Thr is a dipeptide formed from L-methionine and L-threonine residues. It has a role as a metabolite. It is functionally related to a L-methionine and a L-threonine.

CAS Number40883-16-7
PubChem CID7021822
IUPAC Name(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
Molecular FormulaC9H18N2O4S
Molecular Weight250.32
XLogP-4.1
Topological Polar Surface Area138
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity250
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCSC)N)O
InChI
InChI=1S/C9H18N2O4S/c1-5(12)7(9(14)15)11-8(13)6(10)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
InChIKey
KAKJTZWHIUWTTD-VQVTYTSYSA-N
Chemical Structure
2D Structure
2D structure of Met-Thr
CAS: 40883-16-7
CID: 7021822
Formula: C9H18N2O4S
MW: 250.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.32
XLogP3-4.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass250.09872823
Monoisotopic Mass250.09872823
Topological Polar Surface Area138 Ų
Heavy Atom Count16
Formal Charge0
Complexity250
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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