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108919-51-3 | Z-β-Dab(Boc)-OH
CAS No: 108919-51-3 Catalog No: AG003VF9 MDL No:MFCD03788646
Product Description
Catalog Number:
AG003VF9
Chemical Name:
Z-β-Dab(Boc)-OH
CAS Number:
108919-51-3
Molecular Formula:
C17H24N2O6
Molecular Weight:
352.3823
MDL Number:
MFCD03788646
IUPAC Name:
(3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C17H24N2O6/c1-17(2,3)25-15(22)18-10-13(9-14(20)21)19-16(23)24-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21)/t13-/m1/s1
InChI Key:
KUMMZCONPFBQTC-CYBMUJFWSA-N
SMILES:
OC(=O)C[C@@H](NC(=O)OCc1ccccc1)CNC(=O)OC(C)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
352.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.387g/mol
Monoisotopic Mass:
352.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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