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(2S)-4-(3-chloro-5-methylphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S)-4-(3-chloro-5-methylphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 2350120-15-7

Formula: C26H24ClNO4

SMILES: CC1=CC(Cl)=CC(CC[C@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)=C1

IUPAC: (2S)-4-(3-chloro-5-methylphenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C26H24ClNO4/c1-16-12-17(14-18(27)13-16)10-11-24(25(29)30)28-26(31)32-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-9,12-14,23-24H,10-11,15H2,1H3,(H,28,31)(H,29,30)/t24-/m0/s1

Composition: C (69.41%), H (5.38%), Cl (7.88%), N (3.11%), O (14.22%)

Molar Mass: 449.93

Atom Count: 56

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 449.139386
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey PUBZEXHVSHKGOQ-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 123.64
Topological Polar Surface Area 75.63
Polarizability 49.06
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2350120-15-7 $215.04-$689.28$215.04$431.04$689.28
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