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CHEBI:91491 - 4-(aminomethyl)-N-[1-(octylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-1-cyclohexanecarboxamide

ChEBI IDCHEBI:91491
ChEBI Name4-(aminomethyl)-N-[1-(octylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-1-cyclohexanecarboxamide
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FormulaC31H46N4O3
Net Charge0
Average Mass522.734
Monoisotopic Mass522.35699
SMILESCCCCCCCCNC(=O)C(Cc1ccc(OCc2ccncc2)cc1)NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)
InChIKeyZBCXDUNUUKRQSV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(aminomethyl)-N-[1-(octylamino)-1-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]-1-cyclohexanecarboxamide (CHEBI:91491) is a phenylalanine derivative (CHEBI:25985)
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