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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluoro-1H-indol-3-yl)propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-fluoro-1H-indol-3-yl)propanoic acid

CAS: 2244532-65-6

Formula: C26H21FN2O4

SMILES: OC(=O)[C@H](CC1=CNC2=CC=CC(F)=C12)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(4-fluoro-1H-indol-3-yl)propanoic acid

InChI: InChI=1S/C26H21FN2O4/c27-21-10-5-11-22-24(21)15(13-28-22)12-23(25(30)31)29-26(32)33-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-11,13,20,23,28H,12,14H2,(H,29,32)(H,30,31)/t23-/m0/s1

Composition: C (70.26%), H (4.76%), F (4.27%), N (6.30%), O (14.40%)

Molar Mass: 444.462

Atom Count: 54

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 444.148535327
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey GIPFRXZWFYXWKG-QHCPKHFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.5
Topological Polar Surface Area 91.42
Polarizability 48.44
Ring Count 5
Rotatable Bond Count 7

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