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

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

CAS: 1214028-21-3

Formula: C25H23NO4

SMILES: CC(C(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O)C1=CC=CC=C1

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

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

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 2
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 ZQWJZRLWGALBIQ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 113.67
Topological Polar Surface Area 75.63
Polarizability 45.44
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
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97% <2 Days 1214028-21-3 $2,297.70-$9,197.70$2,297.70$9,197.70
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