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1217663-60-9 | Benzeneacetic acid, α-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (αS)-
CAS No: 1217663-60-9 Catalog No: AG0015VN MDL No:MFCD12198213
Product Description
Catalog Number:
AG0015VN
Chemical Name:
Benzeneacetic acid, α-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, (αS)-
CAS Number:
1217663-60-9
Molecular Formula:
C24H21NO4
Molecular Weight:
387.4278
MDL Number:
MFCD12198213
IUPAC Name:
(2S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylpropanoic acid
InChI:
InChI=1S/C24H21NO4/c26-23(27)21(16-8-2-1-3-9-16)14-25-24(28)29-15-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t21-/m1/s1
InChI Key:
ZPTZPWOHBIHMIJ-OAQYLSRUSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NC[C@H](c1ccccc1)C(=O)O
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
387.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.435g/mol
Monoisotopic Mass:
387.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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