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Histidyltryptophyldiketopiperazine

MNXM147483 is deprecated and replaced by MNXM1100391
PropertiesImage
MNX_IDMNXM1100391 Image of MNXM1100391
referencekeggC:C22162
formulaC17H17N5O2
global charge0
mol weight323.356
InChIKeyYNHVZXATNGMVNC-UHFFFAOYSA-N
InChIInChI=1S/C17H17N5O2/c23-16-14(5-10-7-19-13-4-2-1-3-12(10)13)21-17(24)15(22-16)6-11-8-18-9-20-11/h1-4,7-9,14-15,19H,5-6H2,(H,18,20)(H,21,24)(H,22,23)
SMILESO=C1NC(CC2=CNC3=CC=CC=C23)C(=O)NC1CC1=CNC=N1
MNX internals
InChI (mnx)InChI=1/C17H17N5O2/c23-16-14(5-10-7-19-13-4-2-1-3-12(10)13)21-17(24)15(22-16)6-11-8-18-9-20-11/h1-4,7-9,14-15,19H,5-6H2,(H,18,20)(H,21,24)(H,22,23)/t14?,15? Image of MNXM1100391
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:13]2[C:12](=[CH:3]1)[C:10]([CH2:5][CH:14]1[C:16]([OH:23])=[N:22][CH:15]([CH2:6][C:11]3=[CH:8][N:18]=[CH:9][NH:20]3)[C:17]([OH:24])=[N:21]1)=[CH:7][NH:19]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

kegg.compound:C22162
keggC:C22162
YNHVZXATNGMVNC-UHFFFAOYSA-N 		Histidyltryptophyldiketopiperazine

seed.compound:cpd31466
seedM:cpd31466
YNHVZXATNGMVNC-UHFFFAOYSA-N 		HTD
histidyltryptophyldiketopiperazine

metacyc.compound:CPD-17378
metacycM:CPD-17378
YNHVZXATNGMVNC-UHFFFAOYSA-N 		histidyltryptophyldiketopiperazine
HTD

keggC:M_C22162
seedM:M_cpd31466 		secondary/obsolete/fantasy identifier