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(2S)-3-(3,5-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(3,5-difluorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 205526-24-5

Formula: C24H19F2NO4

SMILES: OC(=O)[C@H](CC1=CC(F)=CC(F)=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(3,5-difluorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H19F2NO4/c25-15-9-14(10-16(26)12-15)11-22(23(28)29)27-24(30)31-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,12,21-22H,11,13H2,(H,27,30)(H,28,29)/t22-/m0/s1

Composition: C (68.08%), H (4.52%), F (8.97%), N (3.31%), O (15.11%)

Molar Mass: 423.416

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 423.128214422
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey UYEQBZISDRNPFC-QFIPXVFZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.63
Topological Polar Surface Area 75.63
Polarizability 42.92
Ring Count 4
Rotatable Bond Count 7

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