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(3R)-4-(2-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(3R)-4-(2-chlorophenyl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 268734-29-8

Formula: C25H22ClNO4

SMILES: OC(=O)C[C@@H](CC1=CC=CC=C1Cl)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (3R)-4-(2-chlorophenyl)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C25H22ClNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m1/s1

Composition: C (68.89%), H (5.09%), Cl (8.13%), N (3.21%), O (14.68%)

Molar Mass: 435.9

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 435.1237359
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RTGMPAHEDKUNFP-QGZVFWFLSA-N
Lipinski's Rule of Five
Molar Refractivity 118.63
Topological Polar Surface Area 75.63
Polarizability 47.29
Ring Count 4
Rotatable Bond Count 8

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