(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(4-methoxyphenyl)pentanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-5-(4-methoxyphenyl)pentanoic acid

CAS: 2349445-11-8

Formula: C27H27NO5

SMILES: COC1=CC=C(CCC[C@H](NC(=O)OCC2C3=CC=CC=C3C3=CC=CC=C23)C(O)=O)C=C1

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-5-(4-methoxyphenyl)pentanoic acid

InChI: InChI=1S/C27H27NO5/c1-32-19-15-13-18(14-16-19)7-6-12-25(26(29)30)28-27(31)33-17-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-5,8-11,13-16,24-25H,6-7,12,17H2,1H3,(H,28,31)(H,29,30)/t25-/m0/s1

Composition: C (72.79%), H (6.11%), N (3.14%), O (17.96%)

Molar Mass: 445.515

Atom Count: 60

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	445.188922973
Formal Charge	0
FSP3	0.26
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CQJZCEVFGCDVAU-VWLOTQADSA-N
Lipinski's Rule of Five
Molar Refractivity	124.86
Topological Polar Surface Area	84.86
Polarizability	49.72
Ring Count	4
Rotatable Bond Count	10

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97%	<7 Days	2349445-11-8		$284.16-$689.28$284.16$431.04$689.28