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(3R,4S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylhexanoic acid

(3R,4S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylhexanoic acid

CAS: 193954-27-7

Formula: C22H25NO4

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

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

InChI: InChI=1S/C22H25NO4/c1-3-14(2)20(12-21(24)25)23-22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,20+/m0/s1

Composition: C (71.91%), H (6.86%), N (3.81%), O (17.42%)

Molar Mass: 367.445

Atom Count: 52

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 367.178358289
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VHZUUIWBAYOCDD-VBKZILBWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 102.8
Topological Polar Surface Area 75.63
Polarizability 41.36
Ring Count 3
Rotatable Bond Count 8

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