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3-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

3-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 198544-42-2

Formula: C23H26N2O6

SMILES: CC(C)(C)OC(=O)NCC(NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1/C23H26N2O6/c1-23(2,3)31-21(28)24-12-19(20(26)27)25-22(29)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)

Composition: C (64.78%), H (6.15%), N (6.57%), O (22.51%)

Molar Mass: 426.469

Atom Count: 57

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 426.179086565
Formal Charge 0
FSP3 0.35
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey PKAUMAVONPSDRW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.65
Topological Polar Surface Area 113.96
Polarizability 45.12
Ring Count 3
Rotatable Bond Count 9

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Purity (%)
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 198544-42-2 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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