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147688-40-2 | L-Tyrosine, O-[[(2-bromophenyl)methoxy]carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 147688-40-2 Catalog No: AG001F3C MDL No:MFCD00065683
Product Description
Catalog Number:
AG001F3C
Chemical Name:
L-Tyrosine, O-[[(2-bromophenyl)methoxy]carbonyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
147688-40-2
Molecular Formula:
C32H26BrNO7
Molecular Weight:
616.4553
MDL Number:
MFCD00065683
IUPAC Name:
(2S)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C32H26BrNO7/c33-28-12-6-1-7-21(28)18-40-32(38)41-22-15-13-20(14-16-22)17-29(30(35)36)34-31(37)39-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h1-16,27,29H,17-19H2,(H,34,37)(H,35,36)/t29-/m0/s1
InChI Key:
KDNBLNJKURMWNG-LJAQVGFWSA-N
SMILES:
O=C(Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)OCc1ccccc1Br
Properties
Complexity:
871
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
615.089g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
616.464g/mol
Monoisotopic Mass:
615.089g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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