Fmoc-ala-ala-oh

C₂₁H₂₂N₂O₅CAS 87512-31-0382.42 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₁H₂₂N₂O₅
Molar mass: 382.42 g/mol
Exact mass: 382.1529 Da
logP: 2.50Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 6
Stereocentres: S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

87512-31-0

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

VXGGBPQPMISJCA-STQMWFEESA-N

InChI

InChI=1S/C21H22N2O5/c1-12(19(24)22-13(2)20(25)26)23-21(27)28-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,12-13,18H,11H2,1-2H3,(H,22,24)(H,23,27)(H,25,26)/t12-,13-/m0/s1

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

Names and synonyms

1 names

Fmoc-L-ala-L-ala-OH

Work with Fmoc-ala-ala-oh

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

Similar compounds

Fmoc-D-valine84624-17-967 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-264 % similar (2R,3S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-hydroxybutanoic acid157355-81-264 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-563 % similar Fmoc-D-abu-oh170642-27-063 % similar Fmoc-L-phenylglycine102410-65-163 % similar Fmoc-D-phg-oh111524-95-963 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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