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1217669-56-1 | Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-4-methyl-, (αR,βR)-rel-
CAS No: 1217669-56-1 Catalog No: AG0015VF MDL No:MFCD07363630
Product Description
Catalog Number:
AG0015VF
Chemical Name:
Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-4-methyl-, (αR,βR)-rel-
CAS Number:
1217669-56-1
Molecular Formula:
C25H23NO5
Molecular Weight:
417.4538
MDL Number:
MFCD07363630
IUPAC Name:
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(4-methylphenyl)propanoic acid
InChI:
InChI=1S/C25H23NO5/c1-15-10-12-16(13-11-15)22(23(27)24(28)29)26-25(30)31-14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-13,21-23,27H,14H2,1H3,(H,26,30)(H,28,29)/t22-,23-/m1/s1
InChI Key:
DXEGPGRQLHGCFP-DHIUTWEWSA-N
SMILES:
O=C(N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
609
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
3
Isotope Atom Count:
0
Molecular Weight:
417.461g/mol
Monoisotopic Mass:
417.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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