MP4

(2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid

Created:	2012-02-10
Last modified:	2024-09-27

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1 entries where MP4 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 MP4

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Chemical Component Summary
Name	(2S)-amino(3,5-dihydroxy-4-methylphenyl)ethanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-2-[4-methyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula	C₉ H₁₁ N O₄
Molecular Weight	197.188
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(c1cc(O)c(c(O)c1)C)N
SMILES	CACTVS	3.370	Cc1c(O)cc(cc1O)[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cc(cc1O)C(C(=O)O)N)O
Canonical SMILES	CACTVS	3.370	Cc1c(O)cc(cc1O)[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1c(cc(cc1O)[C@@H](C(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C9H11NO4/c1-4-6(11)2-5(3-7(4)12)8(10)9(13)14/h2-3,8,11-12H,10H2,1H3,(H,13,14)/t8-/m0/s1
InChIKey	InChI	1.03	SWLKZHMYZFDCGZ-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	118989223

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