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(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(pyrimidin-5-yl)propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(pyrimidin-5-yl)propanoic acid

CAS: 1983904-11-5

Formula: C22H19N3O4

SMILES: OC(=O)[C@@H](CC1=CN=CN=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyrimidin-5-yl)propanoic acid

InChI: InChI=1S/C22H19N3O4/c26-21(27)20(9-14-10-23-13-24-11-14)25-22(28)29-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,10-11,13,19-20H,9,12H2,(H,25,28)(H,26,27)/t20-/m1/s1

Composition: C (67.86%), H (4.92%), N (10.79%), O (16.43%)

Molar Mass: 389.411

Atom Count: 48

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 389.137556104
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey OWEHJEIYGWDZHJ-HXUWFJFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 105.86
Topological Polar Surface Area 101.41
Polarizability 41.8
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1983904-11-5 $438.83-$707.42$438.83$707.42
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