(2R)-4-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(2R)-4-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 596797-14-7

Formula: C29H32N2O6

SMILES: CC(NCC[C@@H](NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O)=C1C(=O)CC(C)(C)CC1=O

IUPAC: (2R)-4-{[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)ethyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C29H32N2O6/c1-17(26-24(32)14-29(2,3)15-25(26)33)30-13-12-23(27(34)35)31-28(36)37-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,22-23,30H,12-16H2,1-3H3,(H,31,36)(H,34,35)/t23-/m1/s1

Composition: C (69.03%), H (6.39%), N (5.55%), O (19.02%)

Molar Mass: 504.583

Atom Count: 69

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	504.226036758
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	HFYGXARWFBONMU-HSZRJFAPSA-N
Lipinski's Rule of Five
Molar Refractivity	139.3
Topological Polar Surface Area	121.8
Polarizability	54.57
Ring Count	4
Rotatable Bond Count	9

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<5 Days	596797-14-7		$156.36-$989.89$156.36$279.94$989.89