MDO

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

Created:	2001-08-15
Last modified:	2024-09-27

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38 entries where MDO is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of MDO

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Chemical Component Summary
Name	{2-[(1S)-1-aminoethyl]-4-methylidene-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Synonyms	4-METHYLIDENE-5-ONE; PEPTIDE DERIVED CHROMOPHORE
Systematic Name (OpenEye OEToolkits)	2-[2-[(1S)-1-azanylethyl]-4-methylidene-5-oxidanylidene-imidazol-1-yl]ethanoic acid
Formula	C₈ H₁₁ N₃ O₃
Molecular Weight	197.191
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(\N=C(N1CC(=O)O)C(N)C)=C
SMILES	CACTVS	3.370	C[CH](N)C1=NC(=C)C(=O)N1CC(O)=O
SMILES	OpenEye OEToolkits	1.7.2	CC(C1=NC(=C)C(=O)N1CC(=O)O)N
Canonical SMILES	CACTVS	3.370	C[C@H](N)C1=NC(=C)C(=O)N1CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C[C@@H](C1=NC(=C)C(=O)N1CC(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H11N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4H,2-3,9H2,1H3,(H,12,13)/t4-/m0/s1
InChIKey	InChI	1.03	OVDQQXSNYCENRU-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank ID	DB03071
Name	4-Methylidene-5-One
Groups	experimental
Synonyms	4-Methylidene-5-One

Related Resource References

Resource Name	Reference
PubChem	49866831

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