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H-Thr-Met-OH

CAT: 0121-4002269.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4002269.0001Size:1 g
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CAS Number
90729-28-5
Specifications
G-3290.0001
Sequence
H-Thr-Met-OH
Molecular Formula
C₉H₁₈N₂O₄S
Molecular Weight
250.32
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Thr-Met

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

CAS Number90729-28-5
PubChem CID7020165
IUPAC Name(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC9H18N2O4S
Molecular Weight250.32
XLogP-3.8
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)N[C@@H](CCSC)C(=O)O)N)O
InChI
InChI=1S/C9H18N2O4S/c1-5(12)7(10)8(13)11-6(9(14)15)3-4-16-2/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
InChIKey
APIDTRXFGYOLLH-VQVTYTSYSA-N
Chemical Structure
2D Structure
2D structure of Thr-Met
CAS: 90729-28-5
CID: 7020165
Formula: C9H18N2O4S
MW: 250.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.32
XLogP3-3.8
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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