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

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

CAS: 1403590-49-7

Formula: C20H20N2O5

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

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

InChI: InChI=1S/C20H20N2O5/c1-20(18(24)25,10-17(21)23)22-19(26)27-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H2,21,23)(H,22,26)(H,24,25)/t20-/m0/s1

Composition: C (65.21%), H (5.47%), N (7.60%), O (21.71%)

Molar Mass: 368.389

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 368.137221752
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey WDVALBSODAWGFX-FQEVSTJZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.15
Topological Polar Surface Area 118.72
Polarizability 38.89
Ring Count 3
Rotatable Bond Count 7

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95% <5 Days 1403590-49-7 $213.11$213.11
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