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N(4)-benzoylagmatine

PropertiesImage
MNX_IDMNXM4478 Image of MNXM4478
referencechebi:57708
formulaC12H19N4O
global charge1
mol weight235.311
InChIKeyZRBMNUPECIGKKJ-UHFFFAOYSA-O
InChIInChI=1S/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16)/p+1
SMILESNC(=[NH2+])NCCCCNC(=O)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16) Image of MNXM4478
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:10]([C:11](=[N:15][CH2:8][CH2:4][CH2:5][CH2:9][NH:16][C:12](=[NH:13])[NH2:14])[OH:17])[CH:7]=[CH:3]1
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:57708
chebi:57708
ZRBMNUPECIGKKJ-UHFFFAOYSA-O 		N(4)-benzoylagmatine
amino{[4-(benzoylamino)butyl]amino}methaniminium
benzoylagmatinium
benzoylagmatinium cation

kegg.compound:C02253
keggC:C02253
ZRBMNUPECIGKKJ-UHFFFAOYSA-N 		Benzoylagmatine

seed.compound:cpd01520
seedM:cpd01520
ZRBMNUPECIGKKJ-UHFFFAOYSA-O 		Benzoylagmatine
benzoylagmatine

metacyc.compound:CPD-566
metacycM:CPD-566
ZRBMNUPECIGKKJ-UHFFFAOYSA-O 		benzoylagmatine

CHEBI:16270
chebi:16270
ZRBMNUPECIGKKJ-UHFFFAOYSA-N 		benzoylagmatine
Benzoylagmatine
N-(4-guanidinobutyl)benzamide
N-[4-(carbamimidamido)butyl]benzamide

chebi:13884
chebi:22737
chebi:3039
keggC:M_C02253
seedM:M_cpd01520 		secondary/obsolete/fantasy identifier