Home Carbonyls (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoic acid

(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoic acid

CAS No.:
591254-47-6
Catalog Number:
AG01EKU3
Molecular Formula:
C25H20N2O6
Molecular Weight:
444.4361
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Product Description
Catalog Number:
AG01EKU3
Chemical Name:
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)propanoic acid
CAS Number:
591254-47-6
Molecular Formula:
C25H20N2O6
Molecular Weight:
444.4361
MDL Number:
MFCD31435887
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)propanoic acid
InChI:
InChI=1S/C25H20N2O6/c28-23(29)21(12-14-9-10-22-20(11-14)26-25(31)33-22)27-24(30)32-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,21H,12-13H2,(H,26,31)(H,27,30)(H,28,29)/t21-/m0/s1
InChI Key:
RDGLKIGUOPXQAY-NRFANRHFSA-N
SMILES:
O=C(N[C@H](C(=O)O)Cc1ccc2c(c1)[nH]c(=O)o2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
737  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
444.132g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
444.443g/mol
Monoisotopic Mass:
444.132g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties