SINEMET

ChemSpider ID: 94585
Molecular Formula: C₁₉H₂₅N₃O₈
Average mass: 423.417114 Da
Monoisotopic mass: 423.164154 Da
Systematic name

(2S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropanoic acid - 3-hydroxy-L-tyrosine (1:1)
SMILES and InChIs

SMILES:

O=C(O)[C@](NN)(C)Cc1cc(O)c(O)cc1.O=C(O)[C@@H](N)Cc1cc(O)c(O)cc1 Copied

Std. InChI:

InChI=1S/C10H14N2O4.C9H11NO4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6;10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h2-4,12-14H,5,11H2,1H3,(H,15,16);1-2,4,6,11-12H,3,10H2,(H,13,14)/t10-;6-/m00/s1 Copied

Std. InChIKey:

IVTMXOXVAHXCHI-YXLMWLKOSA-N Copied
Cite this record
CSID:94585, http://www.chemspider.com/Chemical-Structure.94585.html (accessed 18:30, May 19, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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