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

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

CAS: 1803241-06-6

Formula: C29H24N2O4

SMILES: OC(=O)[C@H](CC1=CC=CC(=C1)C1=CC=CN=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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

InChI: InChI=1S/C29H24N2O4/c32-28(33)27(16-19-7-5-8-20(15-19)21-9-6-14-30-17-21)31-29(34)35-18-26-24-12-3-1-10-22(24)23-11-2-4-13-25(23)26/h1-15,17,26-27H,16,18H2,(H,31,34)(H,32,33)/t27-/m0/s1

Composition: C (74.98%), H (5.21%), N (6.03%), O (13.78%)

Molar Mass: 464.521

Atom Count: 59

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 464.173607261
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UQFZBDCLLAFXJX-MHZLTWQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 132.18
Topological Polar Surface Area 88.52
Polarizability 53.68
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1803241-06-6 $264.00-$633.60$264.00$422.40$633.60
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