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(2S,3S)-3-ethoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S,3S)-3-ethoxy-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 1279034-29-5

Formula: C21H23NO5

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

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

InChI: InChI=1S/C21H23NO5/c1-3-26-13(2)19(20(23)24)22-21(25)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)/t13-,19-/m0/s1

Composition: C (68.28%), H (6.28%), N (3.79%), O (21.65%)

Molar Mass: 369.417

Atom Count: 50

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 369.157622845
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CUBBXMGQJYSGLW-DJJJIMSYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.04
Topological Polar Surface Area 84.86
Polarizability 40.21
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1279034-29-5 $264.00-$633.60$264.00$422.40$633.60
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