Carnosine
(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Molecular Identity
Carnosine
(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID: 439224
Carnosine is a dipeptide that is the N-(beta-alanyl) derivative of L-histidine. It has a role as a geroprotector, an antioxidant, an antineoplastic agent, an anticonvulsant, a neuroprotective agent, a mouse metabolite, a human metabolite and a Daphnia magna metabolite. It is a conjugate acid of a carnosinate. It is a tautomer of a carnosine zwitterion.
2D Structure
Properties
C9H14N4O3
Molecular Formula
226.23
Molecular Weight
g/mol
226.1066
Exact Mass
Da
-4
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
259
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CCNIsomeric SMILES
SMILES: C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCNSynonyms(20)
L-CarnosineCarnosine305-84-0beta-Alanyl-L-histidineIgnotineKarnozinKarnozznL-Histidine, beta-alanyl-(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acidNalpha-(beta-alanyl)-L-histidineL-HISTIDINE, N-beta-ALANYL-8HO6PVN24WCHEBI:15727N-beta-alanyl-L-histidineNSC-524045
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Carnosine
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