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209252-16-4 | Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-
CAS No: 209252-16-4 Catalog No: AG002K4S MDL No:MFCD04117843
Product Description
Catalog Number:
AG002K4S
Chemical Name:
Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βR)-
CAS Number:
209252-16-4
Molecular Formula:
C25H23NO4
Molecular Weight:
401.4544
MDL Number:
MFCD04117843
IUPAC Name:
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid
InChI:
InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m1/s1
InChI Key:
DQNUGHJJKNFCND-GOSISDBHSA-N
SMILES:
OC(=O)C[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
401.163g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.462g/mol
Monoisotopic Mass:
401.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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