2,3,4,5,6-pentafluorophenyl (2S)-6-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate

2,3,4,5,6-pentafluorophenyl (2S)-6-[(tert-butoxycarbonyl)amino]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoate

CAS: 86060-98-2

Formula: C32H31F5N2O6

SMILES: CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F

IUPAC: 2,3,4,5,6-pentafluorophenyl (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoate

InChI: InChI=1S/C32H31F5N2O6/c1-32(2,3)45-30(41)38-15-9-8-14-22(29(40)44-28-26(36)24(34)23(33)25(35)27(28)37)39-31(42)43-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,38,41)(H,39,42)/t22-/m0/s1

Composition: C (60.57%), H (4.92%), F (14.97%), N (4.41%), O (15.13%)

Molar Mass: 634.6

Atom Count: 76

Heavy Atom Count: 45

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	634.210227541
Formal Charge	0
FSP3	0.34
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HLNVSYQQDWNJRI-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity	152.39
Topological Polar Surface Area	102.96
Polarizability	59.02
Ring Count	4
Rotatable Bond Count	14

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	86060-98-2		$216.89$216.89