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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

CAS: 206060-54-0

Formula: C26H25NO5

SMILES: CC1=CC(O)=CC(C)=C1C[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid

InChI: InChI=1S/C26H25NO5/c1-15-11-17(28)12-16(2)22(15)13-24(25(29)30)27-26(31)32-14-23-20-9-5-3-7-18(20)19-8-4-6-10-21(19)23/h3-12,23-24,28H,13-14H2,1-2H3,(H,27,31)(H,29,30)/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 3
InChIKey RHSSAHKTHNKPGU-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 121.26
Topological Polar Surface Area 95.86
Polarizability 47.72
Ring Count 4
Rotatable Bond Count 7

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