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156130-68-6 | Benzenepentanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
CAS No: 156130-68-6 Catalog No: AG001OK5 MDL No:
Product Description
Catalog Number:
AG001OK5
Chemical Name:
Benzenepentanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)-
CAS Number:
156130-68-6
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
IUPAC Name:
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
InChI:
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(14(18)19)11-7-10-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChI Key:
AIFKBFKJMQTYAM-CYBMUJFWSA-N
SMILES:
OC(=O)[C@H](NC(=O)OC(C)(C)C)CCCc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.363g/mol
Monoisotopic Mass:
293.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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