(βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid

C₂₆H₂₂N₂O₄CAS 270065-87-7426.47 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Nitrile

Properties

Molecular formula: C₂₆H₂₂N₂O₄
Molar mass: 426.47 g/mol
Exact mass: 426.1580 Da
logP: 4.69Crippen estimate
Polar surface area: 102.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 7

Identifiers

CAS number

270065-87-7

SMILES

N#Cc1cccc(C[C@@H](CC(=O)O)N=C(O)OCC2c3ccccc3-c3ccccc32)c1

InChIKey

JCMKWCSZEZUIQG-IBGZPJMESA-N

InChI

InChI=1S/C26H22N2O4/c27-15-18-7-5-6-17(12-18)13-19(14-25(29)30)28-26(31)32-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,19,24H,13-14,16H2,(H,28,31)(H,29,30)/t19-/m0/s1

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Names and synonyms

1 names

Benzenebutanoic acid, 3-cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-

Work with (βS)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(βS)-2-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-84-4 Fmoc-L-tryptophan35737-15-6

Elsewhere

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