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Ac-Phe-Tyr-OH

CAT: 0024-sc-291786ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-291786ASize:5 g
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CAS Number
2365-53-9

Chemical Information

Ac-L-Phe-L-Tyr
CAS Number2365-53-9
PubChem CID6851583
IUPAC Name(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Molecular FormulaC20H22N2O5
Molecular Weight370.4
XLogP1.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity511
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C20H22N2O5/c1-13(23)21-17(11-14-5-3-2-4-6-14)19(25)22-18(20(26)27)12-15-7-9-16(24)10-8-15/h2-10,17-18,24H,11-12H2,1H3,(H,21,23)(H,22,25)(H,26,27)/t17-,18-/m0/s1
InChIKey
AGHAPAFOMGHXMT-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Ac-L-Phe-L-Tyr
CAS: 2365-53-9
CID: 6851583
Formula: C20H22N2O5
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP31.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass370.15287181
Monoisotopic Mass370.15287181
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity511
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