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(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)methyl]selanyl}propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)methyl]selanyl}propanoic acid

CAS: 1365284-49-6

Formula: C26H25NO4Se

SMILES: CC1=CC=C(C[Se]C[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-methylphenyl)methyl]selanyl}propanoic acid

InChI: InChI=1S/C26H25NO4Se/c1-17-10-12-18(13-11-17)15-32-16-24(25(28)29)27-26(30)31-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1

Composition: C (63.16%), H (5.10%), N (2.83%), O (12.94%), Se (15.97%)

Molar Mass: 494.46

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 495.09488
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ONTNSAXNCVVXSV-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 131.98
Topological Polar Surface Area 75.63
Polarizability 46.71
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1365284-49-6 $141.23-$660.76$141.23$249.68$660.76
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