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Home > Bromides > 1145678-36-9
1145678-36-9 | L-Tyrosine, 3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 1145678-36-9 Catalog No: AG000EPH MDL No:MFCD30749916
Product Description
Catalog Number:
AG000EPH
Chemical Name:
L-Tyrosine, 3-bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
1145678-36-9
Molecular Formula:
C24H20BrNO5
Molecular Weight:
482.3233
MDL Number:
MFCD30749916
IUPAC Name:
(2S)-3-(3-bromo-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H20BrNO5/c25-20-11-14(9-10-22(20)27)12-21(23(28)29)26-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21,27H,12-13H2,(H,26,30)(H,28,29)/t21-/m0/s1
InChI Key:
KPPHAEIHICCEBD-NRFANRHFSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc(c(c1)Br)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
624
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
481.052g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
482.33g/mol
Monoisotopic Mass:
481.052g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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