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Home > Fluorides > 117106-20-4
117106-20-4 | L-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
CAS No: 117106-20-4 Catalog No: AG000DQR MDL No:MFCD02094431
Product Description
Catalog Number:
AG000DQR
Chemical Name:
L-Threonine, O-(1,1-dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
CAS Number:
117106-20-4
Molecular Formula:
C24H29NO5
Molecular Weight:
411.4908
MDL Number:
MFCD02094431
IUPAC Name:
(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid
InChI:
InChI=1S/C24H29NO5/c1-15(30-24(2,3)4)21(22(26)27)25(5)23(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21H,14H2,1-5H3,(H,26,27)/t15-,21+/m1/s1
InChI Key:
VIUVLZHFMIFLHU-VFNWGFHPSA-N
SMILES:
OC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)[C@H](OC(C)(C)C)C
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
411.205g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.498g/mol
Monoisotopic Mass:
411.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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