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

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

CAS: 206060-41-5

Formula: C25H23NO5

SMILES: COC1=CC=CC=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-(2-methoxyphenyl)propanoic acid

InChI: InChI=1S/C25H23NO5/c1-30-23-13-7-2-8-16(23)14-22(24(27)28)26-25(29)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,26,29)(H,27,28)/t22-/m0/s1

Composition: C (71.93%), H (5.55%), N (3.36%), O (19.16%)

Molar Mass: 417.461

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 417.157622845
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CBCSNZJHURMDMO-QFIPXVFZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.66
Topological Polar Surface Area 84.86
Polarizability 46.11
Ring Count 4
Rotatable Bond Count 8

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98% <7 Days 206060-41-5 $135.59-$639.63$135.59$140.76$215.28$639.63
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