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(3R)-4-(4-bromophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(3R)-4-(4-bromophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 331763-76-9

Formula: C25H22BrNO4

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

IUPAC: (3R)-4-(4-bromophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C25H22BrNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m1/s1

Composition: C (62.51%), H (4.62%), Br (16.63%), N (2.92%), O (13.32%)

Molar Mass: 480.358

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 479.073221
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SZPFLELHTJMABC-GOSISDBHSA-N
Lipinski's Rule of Five
Molar Refractivity 121.44
Topological Polar Surface Area 75.63
Polarizability 48.11
Ring Count 4
Rotatable Bond Count 8

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98% <5 Days 331763-76-9 $70.62-$208.07$70.62$93.31$208.07
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