(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-[2-(trifluoromethyl)phenyl]pentanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-[2-(trifluoromethyl)phenyl]pentanoic acid

CAS: 2349601-36-9

Formula: C27H24F3NO4

SMILES: OC(=O)[C@H](CCCC1=CC=CC=C1C(F)(F)F)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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

InChI: InChI=1S/C27H24F3NO4/c28-27(29,30)23-14-6-1-8-17(23)9-7-15-24(25(32)33)31-26(34)35-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-6,8,10-14,22,24H,7,9,15-16H2,(H,31,34)(H,32,33)/t24-/m0/s1

Composition: C (67.07%), H (5.00%), F (11.79%), N (2.90%), O (13.24%)

Molar Mass: 483.487

Atom Count: 59

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	483.165742746
Formal Charge	0
FSP3	0.26
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SRYNVGIGPPLTPK-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity	124.37
Topological Polar Surface Area	75.63
Polarizability	48.16
Ring Count	4
Rotatable Bond Count	10

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97%	<7 Days	2349601-36-9		$284.16-$689.28$284.16$431.04$689.28