CRO

{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count2
Bond Count41
Aromatic Bond Count6
2D diagram of CRO
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Chemical Component Summary

Name{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
SynonymsPEPTIDE DERIVED CHROMOPHORE
Systematic Name (OpenEye OEToolkits)2-[(4Z)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
FormulaC15 H17 N3 O5
Molecular Weight319.313
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)=C\c2ccc(O)cc2
SMILESCACTVS3.385C[CH](O)[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
SMILESOpenEye OEToolkits1.7.6CC(C(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O)N)O
Canonical SMILESCACTVS3.385 C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)O)/C(=O)N1CC(=O)O)N)O
InChIInChI1.03 InChI=1S/C15H17N3O5/c1-8(19)13(16)14-17-11(15(23)18(14)7-12(21)22)6-9-2-4-10(20)5-3-9/h2-6,8,13,19-20H,7,16H2,1H3,(H,21,22)/b11-6-/t8-,13+/m1/s1
InChIKeyInChI1.03 UZCDFHUXSDKGEZ-NGDPAIJVSA-N

Drug Info: DrugBank

DrugBank IDDB04567 
NameChromophore (Gly-Tyr-Gly)
Groups experimental
SynonymsChromophore (Gly-Tyr-Gly)

Related Resource References

Resource NameReference
PubChem 49866829