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Home > Fluorides > 1172579-62-2
1172579-62-2 | L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N,3-dimethyl-
CAS No: 1172579-62-2 Catalog No: AG000E00 MDL No:MFCD27952009
Product Description
Catalog Number:
AG000E00
Chemical Name:
L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N,3-dimethyl-
CAS Number:
1172579-62-2
Molecular Formula:
C22H25NO4
Molecular Weight:
367.4382
MDL Number:
MFCD27952009
IUPAC Name:
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C22H25NO4/c1-22(2,3)19(20(24)25)23(4)21(26)27-13-18-16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-12,18-19H,13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChI Key:
IMZRODMJJYKXHI-LJQANCHMSA-N
SMILES:
OC(=O)[C@H](C(C)(C)C)N(C(=O)OCC1c2ccccc2c2c1cccc2)C
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
367.178g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.445g/mol
Monoisotopic Mass:
367.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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