chempirical

Acetylcarnosine

C11H16N4O4CAS 56353-15-2268.27 g/mol

Open in Covalent MOL file
ONHONHNHNOHO
Carboxylic acid

Properties

Molecular formula
C11H16N4O4
Molar mass
268.27 g/mol
Exact mass
268.1172 Da
logP
0.73Crippen estimate
Polar surface area
131.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
7
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
56353-15-2
SMILES
CC(O)=NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIKey
BKAYIFDRRZZKNF-VIFPVBQESA-N
InChI
InChI=1S/C11H16N4O4/c1-7(16)13-3-2-10(17)15-9(11(18)19)4-8-5-12-6-14-8/h5-6,9H,2-4H2,1H3,(H,12,14)(H,13,16)(H,15,17)(H,18,19)/t9-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • L-Histidine, N-acetyl-β-alanyl-
  • L-Histidine, N-(N-acetyl-β-alanyl)-
  • Histidine, N-(N-acetyl-β-alanyl)-, L-
  • N-Acetyl-β-alanyl-L-histidine
  • N-Acetylcarnosine
  • N-(N-Acetyl-β-alanyl)histidine
  • N-Acetyl-L-carnosine
  • Can-C
  • (S)-2-(3-Acetamidopropanamido)-3-(1H-imidazol-4-yl)propanoicacid

Work with Acetylcarnosine

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

N-Acetyl-L-histidine2497-02-173 % similar Carnosine305-84-068 % similar N-Benzoyl-L-histidine5354-94-954 % similar (tert-Butoxycarbonyl)-L-histidine17791-52-554 % similar Copper peptide ghk-cu49557-75-750 % similar L-Lysine, glycyl-L-histidyl-, monoacetate72957-37-049 % similar N-[(Phenylmethoxy)carbonyl]-L-histidine14997-58-149 % similar D-Histidine351-50-847 % similar

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

Same formula

Dexrazoxane24584-09-6 Pentostatin53910-25-1

Elsewhere

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