MDF

META, META'-DI-HYDROXY-PHENYLALANINE

Created:	2002-09-02
Last modified:	2024-09-27

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1 entries where MDF 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	6

2D diagram of MDF

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Chemical Component Summary
Name	META, META'-DI-HYDROXY-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)	methyl (2S)-2-amino-2-(3,5-dihydroxyphenyl)ethanoate
Formula	C₉ H₁₁ N O₄
Molecular Weight	197.188
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC)C(c1cc(O)cc(O)c1)N
SMILES	CACTVS	3.341	COC(=O)[CH](N)c1cc(O)cc(O)c1
SMILES	OpenEye OEToolkits	1.5.0	COC(=O)C(c1cc(cc(c1)O)O)N
Canonical SMILES	CACTVS	3.341	COC(=O)[C@@H](N)c1cc(O)cc(O)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COC(=O)[C@H](c1cc(cc(c1)O)O)N
InChI	InChI	1.03	InChI=1S/C9H11NO4/c1-14-9(13)8(10)5-2-6(11)4-7(12)3-5/h2-4,8,11-12H,10H2,1H3/t8-/m0/s1
InChIKey	InChI	1.03	RPSOEOPINVKYBT-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	131102877

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