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(2S)-5-(2-chlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

(2S)-5-(2-chlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}pentanoic acid

CAS: 2350064-89-8

Formula: C26H24ClNO4

SMILES: OC(=O)[C@H](CCCC1=CC=CC=C1Cl)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-5-(2-chlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid

InChI: InChI=1S/C26H24ClNO4/c27-23-14-6-1-8-17(23)9-7-15-24(25(29)30)28-26(31)32-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-6,8,10-14,22,24H,7,9,15-16H2,(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 BGNDJEGKHYUYQI-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 123.2
Topological Polar Surface Area 75.63
Polarizability 49.06
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 2350064-89-8 $284.16-$689.28$284.16$431.04$689.28
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