chempirical

L-Alanyl-L-phenylalanine

C12H16N2O3CAS 3061-90-3236.27 g/mol

Open in Covalent MOL file
NH2ONHOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C12H16N2O3
Molar mass
236.27 g/mol
Exact mass
236.1161 Da
logP
0.99Crippen estimate
Polar surface area
95.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
3061-90-3
SMILES
C[C@H](N)C(O)=N[C@@H](Cc1ccccc1)C(=O)O
InChIKey
OMNVYXHOSHNURL-WPRPVWTQSA-N
InChI
InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Phenylalanine, L-alanyl-
  • Alanine, N-L-alanyl-3-phenyl-, L-
  • L-Phenylalanine, N-L-alanyl-
  • Alanylphenylalanine
  • L-Ala-L-phe
  • NSC 89630
  • 10: PN: US20090239809 SEQID: 10 claimed protein
  • 193: PN: EP2161028 PAGE: 10 claimed protein

Work with L-Alanyl-L-phenylalanine

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

L-Alanyl-L-tyrosine3061-88-979 % similar L-Phenylalanyl-L-phenylalanine2577-40-472 % similar L-Aspartyl-L-phenylalanine13433-09-565 % similar Glycylphenylalanine3321-03-764 % similar Glycylphenylalanine721-66-464 % similar L-Alanyl-L-tryptophan16305-75-263 % similar Nateglinide105816-04-463 % similar (-)-N-Acetylphenylalanine10172-89-161 % similar

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

Same formula

Carbetamide16118-49-3 Alanylphenylalanine1999-45-7 L-Phenylalanyl-L-alanine3918-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook