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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-methoxyphenyl)butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-methoxyphenyl)butanoic acid

CAS: 205182-52-1

Formula: C26H25NO5

SMILES: COC1=CC=C(CC[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(4-methoxyphenyl)butanoic acid

InChI: InChI=1S/C26H25NO5/c1-31-18-13-10-17(11-14-18)12-15-24(25(28)29)27-26(30)32-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,13-14,23-24H,12,15-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1

Composition: C (72.37%), H (5.84%), N (3.25%), O (18.54%)

Molar Mass: 431.488

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 431.173272909
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QVVNDZDIQBDWQL-DEOSSOPVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.26
Topological Polar Surface Area 84.86
Polarizability 47.95
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 205182-52-1 $311.04-$723.84$311.04$482.88$723.84
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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 205182-52-1 $344.64-$775.68$344.64$517.44$775.68
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95% <5 Days 205182-52-1 $287.51-$404.78$287.51$404.78
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