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

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

CAS: 507472-28-8

Formula: C25H23NO4

SMILES: CC1=CC(=CC=C1)[C@@H](CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

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

InChI: InChI=1S/C25H23NO4/c1-16-7-6-8-17(13-16)23(14-24(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 QDIMUVCWIVIKLY-HSZRJFAPSA-N
Lipinski's Rule of Five
Molar Refractivity 114.11
Topological Polar Surface Area 75.63
Polarizability 45.36
Ring Count 4
Rotatable Bond Count 7

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95% <7 Days 507472-28-8 $52.79-$86.94$52.79$86.94
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