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

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

CAS: 352351-64-5

Formula: C25H23NO4

SMILES: CC1=CC(C[C@@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)=CC=C1

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

InChI: InChI=1S/C25H23NO4/c1-16-7-6-8-17(13-16)14-23(24(27)28)26-25(29)30-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1

Composition: C (74.80%), H (5.77%), N (3.49%), O (15.94%)

Molar Mass: 401.462

Atom Count: 53

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 401.162708225
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NJXPSSISZLAXRE-HSZRJFAPSA-N
Lipinski's Rule of Five
Molar Refractivity 114.24
Topological Polar Surface Area 75.63
Polarizability 45.37
Ring Count 4
Rotatable Bond Count 7

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