Trifluoroacetyl tripeptide-2

C₂₁H₂₈F₃N₃O₆CAS 64577-63-5475.47 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carboxylic acid Phenol

Properties

Molecular formula: C₂₁H₂₈F₃N₃O₆
Molar mass: 475.47 g/mol
Exact mass: 475.1930 Da
logP: 1.35Crippen estimate
Polar surface area: 144.8 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 10
Stereocentres: S, 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

64577-63-5

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)C(F)(F)F

InChIKey

SAVSLMGBKQKUAV-JYJNAYRXSA-N

InChI

InChI=1S/C21H28F3N3O6/c1-10(2)15(27-20(33)21(22,23)24)18(30)25-14(9-12-5-7-13(28)8-6-12)17(29)26-16(11(3)4)19(31)32/h5-8,10-11,14-16,28H,9H2,1-4H3,(H,25,30)(H,26,29)(H,27,33)(H,31,32)/t14-,15-,16-/m0/s1

Weigh it out

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

Names and synonyms

1 names

Tfa-val-tyr-val-oh

Work with Trifluoroacetyl tripeptide-2

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

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

Elsewhere

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