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3-[1-(tert-butoxycarbonyl)piperidin-3-yl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

3-[1-(tert-butoxycarbonyl)piperidin-3-yl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 372144-11-1

Formula: C28H34N2O6

SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: 3-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1/C28H34N2O6/c1-28(2,3)36-27(34)30-14-8-9-18(16-30)24(15-25(31)32)29-26(33)35-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,18,23-24H,8-9,14-17H2,1-3H3,(H,29,33)(H,31,32)

Composition: C (68.00%), H (6.93%), N (5.66%), O (19.41%)

Molar Mass: 494.588

Atom Count: 70

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 494.241686823
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CGPPZFQDBBUTIE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 134.32
Topological Polar Surface Area 105.17
Polarizability 53.59
Ring Count 4
Rotatable Bond Count 9

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 372144-11-1 $51.35-$1,324.11$51.35$63.37$86.31$451.20$1,324.11
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