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205528-33-2 | 4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS No: 205528-33-2 Catalog No: AG002A5P MDL No:MFCD00672569
Product Description
Catalog Number:
AG002A5P
Chemical Name:
4-Thiazolepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αR)-
CAS Number:
205528-33-2
Molecular Formula:
C21H18N2O4S
Molecular Weight:
394.4436
MDL Number:
MFCD00672569
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoic acid
InChI:
InChI=1S/C21H18N2O4S/c24-20(25)19(9-13-11-28-12-22-13)23-21(26)27-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-12,18-19H,9-10H2,(H,23,26)(H,24,25)/t19-/m1/s1
InChI Key:
LSBAZFASKHLHKB-LJQANCHMSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1cscn1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
394.099g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.445g/mol
Monoisotopic Mass:
394.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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