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H-Trp-Phe-OH

CAT: 0572-TRC-H218605-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H218605-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6686-02-8
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc3ccccc3)C(=O)O
Molecular Formula
C20 H21 N3 O3
Molecular Weight
351.399
InChI
InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

H-Trp-phe-OH

Trp-Phe is a dipeptide formed from L-tryptophan and L-phenylalanine residues. It has a role as a metabolite.

CAS Number6686-02-8
PubChem CID6426942
IUPAC Name(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC20H21N3O3
Molecular Weight351.4
XLogP-0.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity493
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N
InChI
InChI=1S/C20H21N3O3/c21-16(11-14-12-22-17-9-5-4-8-15(14)17)19(24)23-18(20(25)26)10-13-6-2-1-3-7-13/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1
InChIKey
IMMPMHKLUUZKAZ-WMZOPIPTSA-N
Chemical Structure
2D Structure
2D structure of H-Trp-phe-OH
CAS: 6686-02-8
CID: 6426942
Formula: C20H21N3O3
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP3-0.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass351.15829154
Monoisotopic Mass351.15829154
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity493
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

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