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120658-64-2 | Fmoc-Gln(Tmob)-OH
CAS No: 120658-64-2 Catalog No: AG003QNA MDL No:MFCD00153355
Product Description
Catalog Number:
AG003QNA
Chemical Name:
Fmoc-Gln(Tmob)-OH
CAS Number:
120658-64-2
Molecular Formula:
C30H32N2O8
Molecular Weight:
548.5837
MDL Number:
MFCD00153355
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-[(2,4,6-trimethoxyphenyl)methylamino]pentanoic acid
InChI:
InChI=1S/C30H32N2O8/c1-37-18-14-26(38-2)23(27(15-18)39-3)16-31-28(33)13-12-25(29(34)35)32-30(36)40-17-24-21-10-6-4-8-19(21)20-9-5-7-11-22(20)24/h4-11,14-15,24-25H,12-13,16-17H2,1-3H3,(H,31,33)(H,32,36)(H,34,35)/t25-/m0/s1
InChI Key:
ORRRSRMARPWARV-VWLOTQADSA-N
SMILES:
COc1cc(OC)c(c(c1)OC)CNC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
548.216g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
548.592g/mol
Monoisotopic Mass:
548.216g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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