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RARECHEM AL ME 0536

CAS No.:
1379875-60-1
Catalog Number:
AG01EKDL
Molecular Formula:
C22H21N3O4
Molecular Weight:
391.4198
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Product Description
Catalog Number:
AG01EKDL
Chemical Name:
RARECHEM AL ME 0536
CAS Number:
1379875-60-1
Molecular Formula:
C22H21N3O4
Molecular Weight:
391.4198
MDL Number:
MFCD09918469
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1-methylimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C22H21N3O4/c1-25-11-10-23-20(25)12-19(21(26)27)24-22(28)29-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-11,18-19H,12-13H2,1H3,(H,24,28)(H,26,27)
InChI Key:
QCGJAVBYTBXADN-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1nccn1C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
579  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.153g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
391.427g/mol
Monoisotopic Mass:
391.153g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties