(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid
Properties
- Molecular formula
- C26H22F3NO4
- Molar mass
- 469.46 g/mol
- Exact mass
- 469.1501 Da
- logP
- 5.83Crippen estimate
- Polar surface area
- 79.1 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 7
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
270065-75-3SMILES
O=C(O)C[C@H](Cc1ccccc1C(F)(F)F)N=C(O)OCC1c2ccccc2-c2ccccc21InChIKey
AMHLUOQJPWBMSQ-KRWDZBQOSA-NInChI
InChI=1S/C26H22F3NO4/c27-26(28,29)23-12-6-1-7-16(23)13-17(14-24(31)32)30-25(33)34-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,30,33)(H,31,32)/t17-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzenebutanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)-, (βS)-
Work with (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid
Similar compounds
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(βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270596-37-773 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-91-472 % similar
(βS)-2-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-84-469 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-469 % similar
(βR)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid269396-54-565 % similar
(βS)-2,4-Dichloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270063-49-565 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid269396-73-863 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds