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220497-48-3 | Fmoc-3-bromo-L-phenylalanine
CAS No: 220497-48-3 Catalog No: AG0034XP MDL No:MFCD01311744
Product Description
Catalog Number:
AG0034XP
Chemical Name:
Fmoc-3-bromo-L-phenylalanine
CAS Number:
220497-48-3
Molecular Formula:
C24H20BrNO4
Molecular Weight:
466.3239
MDL Number:
MFCD01311744
IUPAC Name:
(2S)-3-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C24H20BrNO4/c25-16-7-5-6-15(12-16)13-22(23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m0/s1
InChI Key:
CALGTIKYXVBTAO-QFIPXVFZSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1cccc(c1)Br)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
465.058g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.331g/mol
Monoisotopic Mass:
465.058g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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