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261165-03-1 | L-Phenylalanine, 5-bromo-N-[(1,1-dimethylethoxy)carbonyl]-2-methoxy-
CAS No: 261165-03-1 Catalog No: AG002RQA MDL No:MFCD01320847
Product Description
Catalog Number:
AG002RQA
Chemical Name:
L-Phenylalanine, 5-bromo-N-[(1,1-dimethylethoxy)carbonyl]-2-methoxy-
CAS Number:
261165-03-1
Molecular Formula:
C15H20BrNO5
Molecular Weight:
374.2270
MDL Number:
MFCD01320847
IUPAC Name:
(2S)-3-(5-bromo-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C15H20BrNO5/c1-15(2,3)22-14(20)17-11(13(18)19)8-9-7-10(16)5-6-12(9)21-4/h5-7,11H,8H2,1-4H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChI Key:
YRKQEACMEPBJKP-NSHDSACASA-N
SMILES:
COc1ccc(cc1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)Br
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
373.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.231g/mol
Monoisotopic Mass:
373.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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