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Fmoc-Tyr-Ala-OH

CAT: 0926-FF111306-01Size: 2000 mgDry Ice: NoHazardous: No
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CAT#:0926-FF111306-01Size:2000 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
220886-40-8
MDL Number
MFCD00237674
Smiles
C[C@@H] (C (=O) O) NC (=O) [C@H] (CC1=CC=C (C=C1) O) NC (=O) OCC2C3=CC=CC=C3C4=CC=CC=C24
Molecular Formula
C27H26N2O6
Molecular Weight
474.51 g/mol
Controlled
No

Chemical Information

Fmoc-Tyr-Ala-OH
CAS Number220886-40-8
PubChem CID92178672
IUPAC Name(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
Molecular FormulaC27H26N2O6
Molecular Weight474.5
XLogP4
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity730
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H26N2O6/c1-16(26(32)33)28-25(31)24(14-17-10-12-18(30)13-11-17)29-27(34)35-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,16,23-24,30H,14-15H2,1H3,(H,28,31)(H,29,34)(H,32,33)/t16-,24-/m0/s1
InChIKey
RJDSZKOCWAEMJK-FYSMJZIKSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-Tyr-Ala-OH
CAS: 220886-40-8
CID: 92178672
Formula: C27H26N2O6
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP34
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass474.17908655
Monoisotopic Mass474.17908655
Topological Polar Surface Area125 Ų
Heavy Atom Count35
Formal Charge0
Complexity730
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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