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125324-00-7 | D-Phenylalanine, 4-chloro-N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS No: 125324-00-7 Catalog No: AG000NHA MDL No:MFCD00236864
Product Description
Catalog Number:
AG000NHA
Chemical Name:
D-Phenylalanine, 4-chloro-N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-
CAS Number:
125324-00-7
Molecular Formula:
C15H20ClNO4
Molecular Weight:
313.7766
MDL Number:
MFCD00236864
IUPAC Name:
(2R)-3-(4-chlorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
InChI:
InChI=1S/C15H20ClNO4/c1-15(2,3)21-14(20)17(4)12(13(18)19)9-10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,18,19)/t12-/m1/s1
InChI Key:
GVKQCRRZMAVASQ-GFCCVEGCSA-N
SMILES:
CN([C@@H](C(=O)O)Cc1ccc(cc1)Cl)C(=O)OC(C)(C)C
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
313.108g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.778g/mol
Monoisotopic Mass:
313.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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