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(2S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

(2S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

CAS: 176755-00-3

Formula: C22H22N2O6

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

IUPAC: (2S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid

InChI: InChI=1S/C22H22N2O6/c1-2-11-29-22(28)24-19(20(25)26)12-23-21(27)30-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,23,27)(H,24,28)(H,25,26)/t19-/m0/s1

Composition: C (64.38%), H (5.40%), N (6.83%), O (23.39%)

Molar Mass: 410.426

Atom Count: 52

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 410.147786436
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey BHQPAXCKWFOFEN-IBGZPJMESA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.01
Topological Polar Surface Area 113.96
Polarizability 43.04
Ring Count 3
Rotatable Bond Count 10

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97% <7 Days 176755-00-3 $164.16-$413.76$164.16$258.24$413.76
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