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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-{[(4-methoxyphenyl)methyl]selanyl}butanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-{[(4-methoxyphenyl)methyl]selanyl}butanoic acid

CAS: 2044704-59-6

Formula: C27H27NO5Se

SMILES: COC1=CC=C(C[Se]CC[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-{[(4-methoxyphenyl)methyl]selanyl}butanoic acid

InChI: InChI=1S/C27H27NO5Se/c1-32-19-12-10-18(11-13-19)17-34-15-14-25(26(29)30)28-27(31)33-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,24-25H,14-17H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1

Composition: C (61.83%), H (5.19%), N (2.67%), O (15.25%), Se (15.06%)

Molar Mass: 524.486

Atom Count: 61

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 525.105445
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LVPVPBVHOQUKQZ-VWLOTQADSA-N
Lipinski's Rule of Five
Molar Refractivity 138.11
Topological Polar Surface Area 84.86
Polarizability 49.33
Ring Count 4
Rotatable Bond Count 11

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 2044704-59-6 $401.00-$1,825.93$401.00$709.94$1,825.93
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