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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5,5-dimethylhexanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5,5-dimethylhexanoic acid

CAS: 1217704-60-3

Formula: C23H27NO4

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

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5,5-dimethylhexanoic acid

InChI: InChI=1S/C23H27NO4/c1-23(2,3)13-12-20(21(25)26)24-22(27)28-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-20H,12-14H2,1-3H3,(H,24,27)(H,25,26)/t20-/m0/s1

Composition: C (72.42%), H (7.13%), N (3.67%), O (16.78%)

Molar Mass: 381.472

Atom Count: 55

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 381.194008353
Formal Charge 0
FSP3 0.39
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey GVUXGAUXGMHUSZ-FQEVSTJZSA-N
Lipinski's Rule of Five
Molar Refractivity 107.33
Topological Polar Surface Area 75.63
Polarizability 43.21
Ring Count 3
Rotatable Bond Count 8

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