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

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

CAS: 331763-60-1

Formula: C25H22ClNO4

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

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

InChI: InChI=1S/C25H22ClNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/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 FMGGSUXYRDKFJX-GOSISDBHSA-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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