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849440-31-9 | L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-
CAS No: 849440-31-9 Catalog No: AG004RG5 MDL No:MFCD06659126
Product Description
Catalog Number:
AG004RG5
Chemical Name:
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2,4-dimethyl-
CAS Number:
849440-31-9
Molecular Formula:
C16H23NO4
Molecular Weight:
293.3581
MDL Number:
MFCD06659126
IUPAC Name:
(2S)-3-(2,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C16H23NO4/c1-10-6-7-12(11(2)8-10)9-13(14(18)19)17-15(20)21-16(3,4)5/h6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChI Key:
AVJPLTQARRYWFZ-ZDUSSCGKSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1C)C
Properties
Complexity:
375
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:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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