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(2S)-4-(benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2S)-4-(benzyloxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 1185841-92-2

Formula: C26H25NO5

SMILES: OC(=O)[C@H](CCOCC1=CC=CC=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

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

InChI: InChI=1S/C26H25NO5/c28-25(29)24(14-15-31-16-18-8-2-1-3-9-18)27-26(30)32-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2,(H,27,30)(H,28,29)/t24-/m0/s1

Composition: C (72.37%), H (5.84%), N (3.25%), O (18.54%)

Molar Mass: 431.488

Atom Count: 57

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 431.173272909
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IYYLJDCIQNUTTJ-DEOSSOPVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.35
Topological Polar Surface Area 84.86
Polarizability 47.96
Ring Count 4
Rotatable Bond Count 10

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