Home Carbonyls (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenoxybutanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenoxybutanoic acid

CAS No.:
1821774-68-8
Catalog Number:
AG01EKH0
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
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Product Description
Catalog Number:
AG01EKH0
Chemical Name:
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenoxybutanoic acid
CAS Number:
1821774-68-8
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
MDL Number:
MFCD09751113
IUPAC Name:
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenoxybutanoic acid
InChI:
InChI=1S/C25H23NO5/c27-24(28)23(14-15-30-17-8-2-1-3-9-17)26-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1
InChI Key:
DFSBFNQOGULCOD-QHCPKHFHSA-N
SMILES:
O=C(N[C@H](C(=O)O)CCOc1ccccc1)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
583  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
417.158g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
417.461g/mol
Monoisotopic Mass:
417.158g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties