chempirical

Carnosine

C9H14N4O3CAS 305-84-0226.24 g/mol

Open in Covalent MOL file
NH2ONHNHNOHO
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H14N4O3
Molar mass
226.24 g/mol
Exact mass
226.1066 Da
Melting point
260 °C
logP
-0.29Crippen estimate
Polar surface area
124.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
305-84-0
SMILES
NCCC(O)=N[C@@H](Cc1cnc[nH]1)C(=O)O
InChIKey
CQOVPNPJLQNMDC-ZETCQYMHSA-N
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Histidine, β-alanyl-
  • β-Alanyl-L-histidine
  • β-Alanylhistidine
  • Ignotine
  • L-Carnosine
  • Karnozin
  • N-(β-Alanyl)-L-histidine
  • NSC 524045
  • Sevitin
  • 2: PN: WO2009033754 PAGE: 98 claimed protein
  • Ignotin
  • Dragosine
  • (2S)-2-(3-Aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
  • (2S)-2-(3-Aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid

Work with Carnosine

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

Acetylcarnosine56353-15-268 % similar Copper peptide ghk-cu49557-75-765 % similar N-Acetyl-L-histidine2497-02-163 % similar Anserine584-85-060 % similar N-Benzoyl-L-histidine5354-94-960 % similar L-Lysine, glycyl-L-histidyl-, monoacetate72957-37-058 % similar (tert-Butoxycarbonyl)-L-histidine17791-52-556 % similar D-Histidine351-50-855 % similar

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

Same formula

Nimorazole6506-37-2

Elsewhere

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