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1263045-14-2 | Boc-beta-(benzothiazol-2-yl)-L-alanine
CAS No: 1263045-14-2 Catalog No: AG01EGSC MDL No:
Product Description
Catalog Number:
AG01EGSC
Chemical Name:
Boc-beta-(benzothiazol-2-yl)-L-alanine
CAS Number:
1263045-14-2
IUPAC Name:
(2S)-3-(1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H18N2O4S/c1-15(2,3)21-14(20)17-10(13(18)19)8-12-16-9-6-4-5-7-11(9)22-12/h4-7,10H,8H2,1-3H3,(H,17,20)(H,18,19)/t10-/m0/s1
InChI Key:
UEIYPFRVZBCJNG-JTQLQIEISA-N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
322.099g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.379g/mol
Monoisotopic Mass:
322.099g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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