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(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[4-(trifluoromethyl)phenyl]butanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[4-(trifluoromethyl)phenyl]butanoic acid

CAS: 270065-81-1

Formula: C26H22F3NO4

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

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

InChI: InChI=1S/C26H22F3NO4/c27-26(28,29)17-11-9-16(10-12-17)13-18(14-24(31)32)30-25(33)34-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,30,33)(H,31,32)/t18-/m0/s1

Composition: C (66.52%), H (4.72%), F (12.14%), N (2.98%), O (13.63%)

Molar Mass: 469.46

Atom Count: 56

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 469.150092681
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LHOASNXTOYNEHC-SFHVURJKSA-N
Lipinski's Rule of Five
Molar Refractivity 119.79
Topological Polar Surface Area 75.63
Polarizability 46.4
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 270065-81-1 $89.53-$293.81$89.53$132.41$293.81
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