(βS)-2-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid

C₂₆H₂₂N₂O₄CAS 270065-84-4426.47 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

270065-84-4

SMILES

N#Cc1ccccc1C[C@@H](CC(=O)O)N=C(O)OCC1c2ccccc2-c2ccccc21

InChIKey

IIXHWVWQIRQSSX-IBGZPJMESA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzenebutanoic acid, 2-cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-

Work with (βS)-2-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)-3-Cyano-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid270065-87-7 Fmoc-L-tryptophan35737-15-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook