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

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

CAS: 138797-71-4

Formula: C23H27NO5

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

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

InChI: InChI=1S/C23H27NO5/c1-14(29-23(2,3)4)20(21(25)26)24-22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,24,27)(H,25,26)/t14-,20+/m0/s1

Composition: C (69.50%), H (6.85%), N (3.52%), O (20.13%)

Molar Mass: 397.471

Atom Count: 56

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 397.188922973
Formal Charge 0
FSP3 0.39
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LZOLWEQBVPVDPR-VBKZILBWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.1
Topological Polar Surface Area 84.86
Polarizability 43.89
Ring Count 3
Rotatable Bond Count 8

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