L-Alanyl-L-tyrosine

C₁₂H₁₆N₂O₄CAS 3061-88-9252.27 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₁₂H₁₆N₂O₄
Molar mass: 252.27 g/mol
Exact mass: 252.1110 Da
Melting point: 238–240 °C (decomposes)
logP: 0.69Crippen estimate
Polar surface area: 116.1 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

3061-88-9

SMILES

C[C@H](N)C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)O

InChIKey

ALZVPLKYDKJKQU-XVKPBYJWSA-N

InChI

InChI=1S/C12H16N2O4/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)/t7-,10-/m0/s1

Weigh it out

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

Names and synonyms

10 names

L-Tyrosine, L-alanyl-
Tyrosine, N-L-alanyl-, L-
L-Tyrosine, N-L-alanyl-
Tyrosine, N-L-alanyl-
Tyrosine, N-alanyl-
10: PN: JP2006248976 SEQID: 10 claimed protein
73: PN: US20070066537 PAGE: 17 claimed protein
48: PN: WO2007067983 SEQID: 197 unclaimed protein
183: PN: EP2161028 PAGE: 10 claimed protein
8: PN: WO2017060857 PAGE: 86 claimed sequence

Work with L-Alanyl-L-tyrosine

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

Alanylphenylalanine1999-45-779 % similar L-Alanyl-L-phenylalanine3061-90-379 % similar L-Valyl-L-tyrosine3061-91-474 % similar D-Leucyl-L-tyrosine3303-29-571 % similar Leucyltyrosine968-21-871 % similar Glycyl-L-tyrosine658-79-763 % similar N-Acetyl-dl-tyrosine2901-77-162 % similar N-Acetyl-L-tyrosine537-55-362 % similar

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

Same formula

Phenylmethyl N-[(1S,2R)-1-(aminocarbonyl)-2-hydroxypropyl]carbamate49705-98-8

Elsewhere

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