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

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

CAS: 1217697-92-1

Formula: C24H21NO5

SMILES: OC(=O)[C@H](CC1=CC=CC=C1O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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

InChI: InChI=1S/C24H21NO5/c26-22-12-6-1-7-15(22)13-21(23(27)28)25-24(29)30-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h1-12,20-21,26H,13-14H2,(H,25,29)(H,27,28)/t21-/m0/s1

Composition: C (71.45%), H (5.25%), N (3.47%), O (19.83%)

Molar Mass: 403.434

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 403.14197278
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey PQUQPFKXORWNNZ-NRFANRHFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.18
Topological Polar Surface Area 95.86
Polarizability 44.19
Ring Count 4
Rotatable Bond Count 7

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97% <7 Days 1217697-92-1 $155.52-$344.64$155.52$233.28$344.64
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