(βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Properties
- Molecular formula
- C25H22ClNO4
- Molar mass
- 435.90 g/mol
- Exact mass
- 435.1237 Da
- Melting point
- 142–143 °C
- logP
- 5.47Crippen estimate
- Polar surface area
- 79.1 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 7
- Stereocentres
- Sin SMILES atom order
Identifiers
CAS number
270596-37-7SMILES
O=C(O)C[C@H](Cc1ccccc1Cl)N=C(O)OCC1c2ccccc2-c2ccccc21InChIKey
RTGMPAHEDKUNFP-KRWDZBQOSA-NInChI
InChI=1S/C25H22ClNO4/c26-23-12-6-1-7-16(23)13-17(14-24(28)29)27-25(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,17,22H,13-15H2,(H,27,30)(H,28,29)/t17-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzenebutanoic acid, 2-chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-
Work with (βS)-2-Chloro-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
Similar compounds
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(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-91-477 % similar
(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-fluorobenzenebutanoic acid270596-49-177 % similar
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(βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-(trifluoromethyl)benzenebutanoic acid270065-75-373 % similar
(βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-methylbenzenebutanoic acid269398-84-770 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds