CRF

[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid

Created: 2003-09-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count2
Bond Count45
Aromatic Bond Count10
2D diagram of CRF
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Chemical Component Summary

Name[(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
Systematic Name (OpenEye OEToolkits)2-[2-[(1R,2R)-1-azanyl-2-hydroxy-propyl]-4-(1H-indol-3-ylmethylidene)-5-oxo-imidazol-1-yl]ethanoic acid
FormulaC17 H18 N4 O4
Molecular Weight342.349
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.352C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23)C(=O)N1CC(O)=O
SMILESOpenEye OEToolkits1.7.0CC(C(C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O
Canonical SMILESCACTVS3.352 C[C@@H](O)[C@H](N)C1=N\C(=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 C[C@H]([C@@H](C1=NC(=Cc2c[nH]c3c2cccc3)C(=O)N1CC(=O)O)N)O
InChIInChI1.03 InChI=1S/C17H18N4O4/c1-9(22)15(18)16-20-13(17(25)21(16)8-14(23)24)6-10-7-19-12-5-3-2-4-11(10)12/h2-7,9,15,19,22H,8,18H2,1H3,(H,23,24)/b13-6-/t9-,15+/m1/s1
InChIKeyInChI1.03 COQNVMWLDCUFMG-HNGJRXCUSA-N

Drug Info: DrugBank

DrugBank IDDB03914 
Name[2-(1-amino-2-hydroxy-propyl)-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetaldehyde
Groups experimental
Synonyms[2-(1-amino-2-hydroxy-propyl)-4-(1H-indol-3-ylmethylene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetaldehyde

Related Resource References

Resource NameReference
PubChem 49867414