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159999-80-1 | L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-(phenylmethyl)-
CAS No: 159999-80-1 Catalog No: AG001RKR MDL No:MFCD07366799
Product Description
Catalog Number:
AG001RKR
Chemical Name:
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-(phenylmethyl)-
CAS Number:
159999-80-1
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD07366799
IUPAC Name:
(2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C15H21NO4/c1-11(13(17)18)16(14(19)20-15(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,17,18)/t11-/m0/s1
InChI Key:
MYGPVQDUOSMACR-NSHDSACASA-N
SMILES:
C[C@H](N(C(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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