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(2S)-8-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-8-oxooctanoic acid

(2S)-8-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-8-oxooctanoic acid

CAS: 276869-41-1

Formula: C27H33NO6

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

IUPAC: (2S)-8-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-8-oxooctanoic acid

InChI: InChI=1S/C27H33NO6/c1-27(2,3)34-24(29)16-6-4-5-15-23(25(30)31)28-26(32)33-17-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22-23H,4-6,15-17H2,1-3H3,(H,28,32)(H,30,31)/t23-/m0/s1

Composition: C (69.36%), H (7.11%), N (3.00%), O (20.53%)

Molar Mass: 467.562

Atom Count: 67

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 467.230787787
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey ULPCAXORIFXUMN-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 127.75
Topological Polar Surface Area 101.93
Polarizability 51.33
Ring Count 3
Rotatable Bond Count 13

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