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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-methylphenyl)butanoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(4-methylphenyl)butanoic acid

CAS: 1822424-29-2

Formula: C26H25NO4

SMILES: CC1=CC=C(CCC(NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)C=C1

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(4-methylphenyl)butanoic acid

InChI: InChI=1/C26H25NO4/c1-17-10-12-18(13-11-17)14-15-24(25(28)29)27-26(30)31-16-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)

Composition: C (75.16%), H (6.07%), N (3.37%), O (15.40%)

Molar Mass: 415.489

Atom Count: 56

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 415.178358289
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JLOKXQGKJIXTSW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 118.84
Topological Polar Surface Area 75.63
Polarizability 47.21
Ring Count 4
Rotatable Bond Count 8

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