OHD

{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

Created:	2019-06-25
Last modified:	2024-09-27

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14 entries where OHD is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	6

2D diagram of OHD

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Chemical Component Summary
Name	{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Synonyms	PEPTIDE DERIVED CHROMOPHORE
Systematic Name (OpenEye OEToolkits)	2-[(4~{Z})-2-[(1~{S})-1-azanylethyl]-4-[(3-chloranyl-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula	C₁₄ H₁₄ Cl N₃ O₄
Molecular Weight	323.732
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(C)C1=N/C(C(N1CC(O)=O)=O)=C\c2ccc(c(c2)Cl)O
SMILES	CACTVS	3.385	C[CH](N)C1=NC(=Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O)O)N
Canonical SMILES	CACTVS	3.385	C[C@H](N)C1=N\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/C(=O)N1CC(=O)O)N
InChI	InChI	1.03	InChI=1S/C14H14ClN3O4/c1-7(16)13-17-10(14(22)18(13)6-12(20)21)5-8-2-3-11(19)9(15)4-8/h2-5,7,19H,6,16H2,1H3,(H,20,21)/b10-5-/t7-/m0/s1
InChIKey	InChI	1.03	JUGKPHPDTRUHCK-ZHNVUNHESA-N

Related Resource References

Resource Name	Reference
PubChem	138857437

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