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Gly-Ala-Tyr

PropertiesImage
MNX_IDMNXM167842 Image of MNXM167842
referencesabiorkM:25672
formulaC14H19N3O5
global charge0
mol weight309.322
InChIKeyQIZJOTQTCAGKPU-UHFFFAOYSA-N
InChIInChI=1S/C14H19N3O5/c1-8(16-12(19)7-15)13(20)17-11(14(21)22)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,19)(H,17,20)(H,21,22)
SMILESCC(N=C(O)CN)C(O)=NC(CC1=CC=C(O)C=C1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C14H19N3O5/c1-8(16-12(19)7-15)13(20)17-11(14(21)22)6-9-2-4-10(18)5-3-9/h2-5,8,11,18H,6-7,15H2,1H3,(H,16,19)(H,17,20)(H,21,22)/t8?,11? Image of MNXM167842
SMILES (mnx)[CH3:1][CH:8]([C:13](=[N:17][CH:11]([CH2:6][C:9]1=[CH:3][CH:5]=[C:10]([OH:18])[CH:4]=[CH:2]1)[C:14](=[O:21])[OH:22])[OH:20])[N:16]=[C:12]([CH2:7][NH2:15])[OH:19]
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

sabiork.compound:25672
sabiorkM:25672
QIZJOTQTCAGKPU-UHFFFAOYSA-N
Gly-Ala-Tyr