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H-Phe-Trp-OH

CAT: 0607-BA7496-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7496-50Size:50 mg
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CAS Number
24587-41-5
Form
A solid
Molecular Formula
C20H21N3O3
Molecular Weight
351.40
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Phenylalanyltryptophan

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

CAS Number24587-41-5
PubChem CID134906
IUPAC Name(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic 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)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)N
InChI
InChI=1S/C20H21N3O3/c21-16(10-13-6-2-1-3-7-13)19(24)23-18(20(25)26)11-14-12-22-17-9-5-4-8-15(14)17/h1-9,12,16,18,22H,10-11,21H2,(H,23,24)(H,25,26)/t16-,18-/m0/s1
InChIKey
JMCOUWKXLXDERB-WMZOPIPTSA-N
Chemical Structure
2D Structure
2D structure of Phenylalanyltryptophan
CAS: 24587-41-5
CID: 134906
Formula: C20H21N3O3
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
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