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

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

CAS: 269396-73-8

Formula: C25H22INO4

SMILES: OC(=O)C[C@@H](CC1=CC=C(I)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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

InChI: InChI=1S/C25H22INO4/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 (56.94%), H (4.21%), I (24.06%), N (2.66%), O (12.14%)

Molar Mass: 527.358

Atom Count: 53

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 527.05935
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HTZYQICRFPOZOG-GOSISDBHSA-N
Lipinski's Rule of Five
Molar Refractivity 127.18
Topological Polar Surface Area 75.63
Polarizability 50.4
Ring Count 4
Rotatable Bond Count 8

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