chempirical

Alanyl-glutamine

C8H15N3O4CAS 39537-23-0217.22 g/mol

Open in Covalent MOL file
H2NONHNH2OOOH
Carboxylic acidPrimary amine

Properties

Molecular formula
C8H15N3O4
Molar mass
217.22 g/mol
Exact mass
217.1063 Da
Melting point
204–205 °C
logP
0.06Crippen estimate
Polar surface area
140.0 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
39537-23-0
SMILES
C[C@H](N)C(O)=N[C@@H](CCC(=N)O)C(=O)O
InChIKey
HJCMDXDYPOUFDY-WHFBIAKZSA-N
InChI
InChI=1S/C8H15N3O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all
  • L-Glutamine, L-alanyl-
  • L-Glutamine, N2-L-alanyl-
  • Glutamine, N2-L-alanyl-
  • L-Alanyl-L-glutamine
  • Dipeptiven
  • Dipeptamin
  • L-Ala-L-gln
  • 72: PN: US20070066537 PAGE: 17 claimed protein
  • GlutaMAX
  • Glutamax I
  • 96: PN: WO2011146121 PAGE: 115 claimed sequence
  • Sustamine
  • 63: PN: WO2020097235 SEQID: 292 claimed protein

Work with Alanyl-glutamine

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

Dl-alanyl-dl-methionine1999-43-562 % similar Glycyl-L-glutamine13115-71-461 % similar Dl-alanyl-dl-leucine1999-42-460 % similar Aceglutamide2490-97-360 % similar L-Alanyl-L-leucine3303-34-260 % similar Boc-L-glutamine13726-85-753 % similar Alanylphenylalanine1999-45-753 % similar L-Alanyl-L-phenylalanine3061-90-353 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia