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116366-27-9 | L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, 1,1-dimethylethyl ester
CAS No: 116366-27-9 Catalog No: AG000CB2 MDL No:
Product Description
Catalog Number:
AG000CB2
Chemical Name:
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, 1,1-dimethylethyl ester
CAS Number:
116366-27-9
Molecular Formula:
C18H26N2O6
Molecular Weight:
366.4088
IUPAC Name:
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate
InChI:
InChI=1S/C18H26N2O6/c1-17(2,3)25-15(21)14(19-16(22)26-18(4,5)6)11-12-7-9-13(10-8-12)20(23)24/h7-10,14H,11H2,1-6H3,(H,19,22)/t14-/m0/s1
InChI Key:
CIIPFNPETNNJDS-AWEZNQCLSA-N
SMILES:
O=C([C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
366.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.414g/mol
Monoisotopic Mass:
366.179g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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