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Home > Fluorides > 148515-85-9
148515-85-9 | L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]oxy]-4-methoxyphenyl]methyl]-
CAS No: 148515-85-9 Catalog No: AG001KZ1 MDL No:
Product Description
Catalog Number:
AG001KZ1
Chemical Name:
L-Alanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-[[2-[[(9H-fluoren-9-ylmethoxy)carbonyl]oxy]-4-methoxyphenyl]methyl]-
CAS Number:
148515-85-9
Molecular Formula:
C41H35NO8
Molecular Weight:
669.7185
IUPAC Name:
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl-[[2-(9H-fluoren-9-ylmethoxycarbonyloxy)-4-methoxyphenyl]methyl]amino]propanoic acid
InChI:
InChI=1S/C41H35NO8/c1-25(39(43)44)42(40(45)48-23-36-32-15-7-3-11-28(32)29-12-4-8-16-33(29)36)22-26-19-20-27(47-2)21-38(26)50-41(46)49-24-37-34-17-9-5-13-30(34)31-14-6-10-18-35(31)37/h3-21,25,36-37H,22-24H2,1-2H3,(H,43,44)/t25-/m0/s1
InChI Key:
NABBLRADDJWAHI-VWLOTQADSA-N
SMILES:
COc1ccc(c(c1)OC(=O)OCC1c2ccccc2c2c1cccc2)CN([C@H](C(=O)O)C)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
1140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
669.236g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
669.73g/mol
Monoisotopic Mass:
669.236g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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