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198493-85-5 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-methyl-, (βR)-
CAS No: 198493-85-5 Catalog No: AG002BKB MDL No:MFCD01456490
Product Description
Catalog Number:
AG002BKB
Chemical Name:
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-methyl-, (βR)-
CAS Number:
198493-85-5
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD01456490
IUPAC Name:
(2R,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylbutanoic acid
InChI:
InChI=1S/C15H21NO4/c1-10(11-8-6-5-7-9-11)12(13(17)18)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)/t10-,12-/m1/s1
InChI Key:
XFSLNPBJZAPTMM-ZYHUDNBSSA-N
SMILES:
C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)c1ccccc1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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