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(3S)-6-[(tert-butoxycarbonyl)amino]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

(3S)-6-[(tert-butoxycarbonyl)amino]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid

CAS: 219967-68-7

Formula: C26H32N2O6

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

IUPAC: (3S)-6-{[(tert-butoxy)carbonyl]amino}-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid

InChI: InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-14-8-9-17(15-23(29)30)28-25(32)33-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,17,22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)/t17-/m0/s1

Composition: C (66.65%), H (6.88%), N (5.98%), O (20.49%)

Molar Mass: 468.55

Atom Count: 66

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 468.226036758
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey SETTXXCZEDLMRX-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.79
Topological Polar Surface Area 113.96
Polarizability 50.63
Ring Count 3
Rotatable Bond Count 12

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