(2S)-3-(5-bromopyridin-2-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

(2S)-3-(5-bromopyridin-2-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid

CAS: 282734-37-6

Formula: C23H19BrN2O4

SMILES: OC(=O)[C@H](CC1=CC=C(Br)C=N1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(5-bromopyridin-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

InChI: InChI=1S/C23H19BrN2O4/c24-14-9-10-15(25-12-14)11-21(22(27)28)26-23(29)30-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-10,12,20-21H,11,13H2,(H,26,29)(H,27,28)/t21-/m0/s1

Composition: C (59.11%), H (4.10%), Br (17.10%), N (5.99%), O (13.69%)

Molar Mass: 467.319

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	466.05282
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OKRYLAXLGQLYKG-NRFANRHFSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.08
Topological Polar Surface Area	88.52
Polarizability	45.41
Ring Count	4
Rotatable Bond Count	7

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