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Fmoc-β-Ala-Ala-OH

CAT: 1299-RM-F131635-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F131635-01Size:10 mg
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CAS Number
850324-83-3
Synonyms
(3- ((((9H-fluoren-9-yl) methoxy) carbonyl) amino) propanoyl) -L-alanine
Molecular Formula
C21H22N2O5
Molecular Weight
382.42
Target Alternative Name
Fmoc
Product Name Synonym
(3- ((((9H-fluoren-9-yl) methoxy) carbonyl) amino) propanoyl) -L-alanine

Chemical Information

Fmoc-beta-Ala-Ala-OH
CAS Number850324-83-3
PubChem CID122173539
IUPAC Name(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
Molecular FormulaC21H22N2O5
Molecular Weight382.4
XLogP2.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity559
SMILES
C[C@@H](C(=O)O)NC(=O)CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H22N2O5/c1-13(20(25)26)23-19(24)10-11-22-21(27)28-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18H,10-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t13-/m0/s1
InChIKey
OMHMKKLOQFHZAZ-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-beta-Ala-Ala-OH
CAS: 850324-83-3
CID: 122173539
Formula: C21H22N2O5
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass382.15287181
Monoisotopic Mass382.15287181
Topological Polar Surface Area105 Ų
Heavy Atom Count28
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes