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leteprinim

PropertiesImage
MNX_IDMNXM527910 Image of MNXM527910
referencechebi:135395
formulaC15H13N5O4
global charge0
mol weight327.3
InChIKeyJMPOIZCOJJMTHI-UHFFFAOYSA-N
InChIInChI=1S/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22)
SMILESO=C(CCN1C=NC2=C1N=CNC2=O)NC1=CC=C(C(=O)O)C=C1
MNX internals
InChI (mnx)InChI=1/C15H13N5O4/c21-11(19-10-3-1-9(2-4-10)15(23)24)5-6-20-8-18-12-13(20)16-7-17-14(12)22/h1-4,7-8H,5-6H2,(H,19,21)(H,23,24)(H,16,17,22) Image of MNXM527910
SMILES (mnx)[CH:1]1=[CH:3][C:10]([NH:19][C:11]([CH2:5][CH2:6][N:20]2[CH:8]=[N:18][C:12]3=[C:13]2[N:16]=[CH:7][N:17]=[C:14]3[OH:22])=[O:21])=[CH:4][CH:2]=[C:9]1[C:15]([OH:23])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:135395
chebi:135395
JMPOIZCOJJMTHI-UHFFFAOYSA-N 		leteprinim
leteprinim potassium
hmdb:HMDB0254024
JMPOIZCOJJMTHI-UHFFFAOYSA-N 		Leteprinim
4-[3-(6-Hydroxy-9H-purin-9-yl)propanamido]benzoate
4-[3-(6-oxo-1H-purin-9-yl)propanamido]benzoic acid
4-[3-(6-oxo-6,9-dihydro-1H-purin-9-yl)propanamido]benzoic acid