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959583-56-3 | Fmoc-beta-(benzothiazol-2-yl)-L-alanine
CAS No: 959583-56-3 Catalog No: AG00IJNY MDL No:MFCD03791021
Product Description
Catalog Number:
AG00IJNY
Chemical Name:
Fmoc-beta-(benzothiazol-2-yl)-L-alanine
CAS Number:
959583-56-3
MDL Number:
MFCD03791021
IUPAC Name:
(2S)-3-(1,3-benzothiazol-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C25H20N2O4S/c28-24(29)21(13-23-26-20-11-5-6-12-22(20)32-23)27-25(30)31-14-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-12,19,21H,13-14H2,(H,27,30)(H,28,29)/t21-/m0/s1
InChI Key:
FOEQAVDISWFCSU-NRFANRHFSA-N
Properties
Complexity:
669
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
444.114g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.505g/mol
Monoisotopic Mass:
444.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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