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(2S)-3-(3,4-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(3,4-dichlorophenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 177966-59-5

Formula: C24H19Cl2NO4

SMILES: OC(=O)[C@H](CC1=CC=C(Cl)C(Cl)=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(3,4-dichlorophenyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C24H19Cl2NO4/c25-20-10-9-14(11-21(20)26)12-22(23(28)29)27-24(30)31-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-11,19,22H,12-13H2,(H,27,30)(H,28,29)/t22-/m0/s1

Composition: C (63.17%), H (4.20%), Cl (15.54%), N (3.07%), O (14.02%)

Molar Mass: 456.32

Atom Count: 50

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 455.0691135
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QNVHCYWPXIGFGN-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 118.81
Topological Polar Surface Area 75.63
Polarizability 47.35
Ring Count 4
Rotatable Bond Count 7

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