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PropertiesImage
MNX_IDMNXM43070 Image of MNXM43070
referencechebi:2940
formulaC22H27ClN4O3
global charge0
mol weight430.936
InChIKeyLTKOVYBBGBGKTA-SFHVURJKSA-N
InChIInChI=1S/C22H27ClN4O3/c1-27(20(28)14-26-22(30)18(25)9-5-6-12-24)19-11-10-16(23)13-17(19)21(29)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14,24-25H2,1H3,(H,26,30)/t18-/m0/s1
SMILESCN(C(=O)CNC(=O)[C@@H](N)CCCCN)C1=C(C(=O)C2=CC=CC=C2)C=C(Cl)C=C1
MNX internals
InChI (mnx)InChI=1/C22H27ClN4O3/c1-27(20(28)14-26-22(30)18(25)9-5-6-12-24)19-11-10-16(23)13-17(19)21(29)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12,14,24-25H2,1H3,(H,26,30)/t18-/m0/s1 Image of MNXM43070
SMILES (mnx)[CH3:1][N:27]([C:19]1=[C:17]([C:21]([C:15]2=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]2)=[O:29])[CH:13]=[C:16]([Cl:23])[CH:10]=[CH:11]1)[C:20]([CH2:14][N:26]=[C:22]([C@H:18]([CH2:9][CH2:5][CH2:6][CH2:12][NH2:24])[NH2:25])[OH:30])=[O:28]
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:2940
chebi:2940
kegg.compound:C11725
keggC:C11725
LTKOVYBBGBGKTA-SFHVURJKSA-N 		Avizafone
LDZ
hmdb:HMDB0248745
LTKOVYBBGBGKTA-UHFFFAOYSA-N 		Avizafone
2,6-diamino-N-{[(2-benzoyl-4-chlorophenyl)(methyl)carbamoyl]methyl}hexanamide

seed.compound:cpd08534
seedM:cpd08534
LTKOVYBBGBGKTA-SFHVURJKSA-P 		LDZ
Avizafone

keggC:M_C11725
seedM:M_cpd08534 		secondary/obsolete/fantasy identifier