(βS)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Properties
- Molecular formula
- C25H22BrNO4
- Molar mass
- 480.36 g/mol
- Exact mass
- 479.0732 Da
- Melting point
- 177–178 °C
- logP
- 5.58Crippen estimate
- Polar surface area
- 79.1 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 7
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
270062-86-7SMILES
O=C(O)C[C@H](Cc1ccc(Br)cc1)N=C(O)OCC1c2ccccc2-c2ccccc21InChIKey
SZPFLELHTJMABC-SFHVURJKSA-NInChI
InChI=1S/C25H22BrNO4/c26-17-11-9-16(10-12-17)13-18(14-24(28)29)27-25(30)31-15-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,18,23H,13-15H2,(H,27,30)(H,28,29)/t18-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzenebutanoic acid, 4-bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-
- (3S)-4-(4-Bromophenyl)-3-([[(9H-fluoren-9-yl)methoxy]carbonyl]amino)butanoic acid
Work with (βS)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Similar compounds
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-483 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid269396-73-879 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylbenzenebutanoic acid270062-97-079 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-iodobenzenebutanoic acid270065-72-079 % similar
(βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid219967-69-873 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-nitrobenzenebutanoic acid270062-88-972 % similar
(βR)-4-Bromo-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenepropanoic acid220498-04-472 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid269398-84-769 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds