Home Carbonyls 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-

1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-

CAS No.:
1219143-85-7
Catalog Number:
AG0016EA
Molecular Formula:
C25H21N3O4
Molecular Weight:
427.4519
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Product Description
Catalog Number:
AG0016EA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
CAS Number:
1219143-85-7
Molecular Formula:
C25H21N3O4
Molecular Weight:
427.4519
MDL Number:
MFCD02682351
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
InChI:
InChI=1S/C25H21N3O4/c29-24(30)22(12-15-13-27-23-16(15)10-5-11-26-23)28-25(31)32-14-21-19-8-3-1-6-17(19)18-7-2-4-9-20(18)21/h1-11,13,21-22H,12,14H2,(H,26,27)(H,28,31)(H,29,30)
InChI Key:
SEWQKWXKJVYKOO-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)Cc1c[nH]c2c1cccn2)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
666  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.153g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
427.46g/mol
Monoisotopic Mass:
427.153g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties