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1260616-34-9 | Benzenepentanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-δ-oxo-, 1,1-dimethylethyl ester, (αR)-
CAS No: 1260616-34-9 Catalog No: AG000QVX MDL No:MFCD11975843
Product Description
Catalog Number:
AG000QVX
Chemical Name:
Benzenepentanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-δ-oxo-, 1,1-dimethylethyl ester, (αR)-
CAS Number:
1260616-34-9
Molecular Formula:
C20H29NO5
Molecular Weight:
363.4480
MDL Number:
MFCD11975843
IUPAC Name:
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
InChI:
InChI=1S/C20H29NO5/c1-19(2,3)25-17(23)15(21-18(24)26-20(4,5)6)12-13-16(22)14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,21,24)/t15-/m1/s1
InChI Key:
GQSXJAJHFGIAJQ-OAHLLOKOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)OC(C)(C)C)CCC(=O)c1ccccc1
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
363.205g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.454g/mol
Monoisotopic Mass:
363.205g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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