Custodiol
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-oxopentanedioic acid
Molecular Identity
Custodiol
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-oxopentanedioic acid
PubChem CID: 10207484
2D Structure
Properties
C22H27N5O9
Molecular Formula
505.50
Molecular Weight
g/mol
505.1809
Exact Mass
Da
263
TPSA
May have limited oral absorption
8
H-Bond Donors
12
H-Bond Acceptors
566
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=C(NC=N1)CC(C(=O)O)N.C(CC(=O)O)C(=O)C(=O)OIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C1=C(NC=N1)C[C@@H](C(=O)O)N.C(CC(=O)O)C(=O)C(=O)OSynonyms(7)
Custodiol674309-46-7DTXSID00217777RefChem:334835DTXCID50140268SCHEMBL671405SCHEMBL29371025
Data from PubChem (NCBI)
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