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(2S,3R)-3-[(tert-butyldimethylsilyl)oxy]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S,3R)-3-[(tert-butyldimethylsilyl)oxy]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 146346-82-9

Formula: C25H33NO5Si

SMILES: C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: (2S,3R)-3-[(tert-butyldimethylsilyl)oxy]-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C25H33NO5Si/c1-16(31-32(5,6)25(2,3)4)22(23(27)28)26-24(29)30-15-21-19-13-9-7-11-17(19)18-12-8-10-14-20(18)21/h7-14,16,21-22H,15H2,1-6H3,(H,26,29)(H,27,28)/t16-,22+/m1/s1

Composition: C (65.90%), H (7.30%), N (3.07%), O (17.56%), Si (6.16%)

Molar Mass: 455.626

Atom Count: 65

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 455.212799702
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LQMPINNWAPYALU-ZHRRBRCNSA-N
Lipinski's Rule of Five
Molar Refractivity 120.39
Topological Polar Surface Area 84.86
Polarizability 50.51
Ring Count 3
Rotatable Bond Count 9

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