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269398-86-9 | (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(p-tolyl)butanoic acid
CAS No: 269398-86-9 Catalog No: AG0037QI MDL No:MFCD01860929
Product Description
Catalog Number:
AG0037QI
Chemical Name:
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(p-tolyl)butanoic acid
CAS Number:
269398-86-9
Molecular Formula:
C26H25NO4
Molecular Weight:
415.4810
MDL Number:
MFCD01860929
IUPAC Name:
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-methylphenyl)butanoic acid
InChI:
InChI=1S/C26H25NO4/c1-17-10-12-18(13-11-17)14-19(15-25(28)29)27-26(30)31-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m1/s1
InChI Key:
YDTDVZCEZPHDPY-LJQANCHMSA-N
SMILES:
OC(=O)C[C@@H](Cc1ccc(cc1)C)NC(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
593
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
415.178g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.489g/mol
Monoisotopic Mass:
415.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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