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ethyl N-acetyl-L-tyrosinate

PropertiesImage
MNX_IDMNXM52781 Image of MNXM52781
referencechebi:28828
formulaC13H17NO4
global charge0
mol weight251.282
InChIKeySKAWDTAMLOJQNK-LBPRGKRZSA-N
InChIInChI=1S/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1
SMILESCCOC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O
MNX internals
InChI (mnx)InChI=1/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)/t12-/m0/s1 Image of MNXM52781
SMILES (mnx)[CH3:1][CH2:3][O:18][C:13]([C@H:12]([CH2:8][C:10]1=[CH:5][CH:7]=[C:11]([OH:16])[CH:6]=[CH:4]1)[N:14]=[C:9]([CH3:2])[OH:15])=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28828
chebi:28828
SKAWDTAMLOJQNK-LBPRGKRZSA-N
ethyl N-acetyl-L-tyrosinate
Ac-Tyr-OEt
N-Acetyl-L-tyrosine ethyl ester

seed.compound:cpd01149
seedM:cpd01149
kegg.compound:C01657
keggC:C01657
SKAWDTAMLOJQNK-LBPRGKRZSA-N
Ac-Tyr-OEt
Ethyl N-alpha-acetyl-tyrosinate
N-Acetyl-L-tyrosine ethyl ester

sabiork.compound:5716
sabiorkM:5716
SKAWDTAMLOJQNK-LBPRGKRZSA-N
Ac-Tyr-OEt
N-Acetyl-L-tyrosine ethyl ester

chebi:21564
chebi:2370
keggC:M_C01657
seedM:M_cpd01149
secondary/obsolete/fantasy identifier