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160063-50-3 | L-Phenylalanine, 4-carboxy-N-[(1,1-dimethylethoxy)carbonyl]-
CAS No: 160063-50-3 Catalog No: AG001RMY MDL No:MFCD03844656
Product Description
Catalog Number:
AG001RMY
Chemical Name:
L-Phenylalanine, 4-carboxy-N-[(1,1-dimethylethoxy)carbonyl]-
CAS Number:
160063-50-3
Molecular Formula:
C15H19NO6
Molecular Weight:
309.3145
MDL Number:
MFCD03844656
IUPAC Name:
4-[(2S)-2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
InChI:
InChI=1S/C15H19NO6/c1-15(2,3)22-14(21)16-11(13(19)20)8-9-4-6-10(7-5-9)12(17)18/h4-7,11H,8H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)/t11-/m0/s1
InChI Key:
JFKXENJFSWWWQI-NSHDSACASA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)C(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.318g/mol
Monoisotopic Mass:
309.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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