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NPC

Properties

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Occurences in reactions

MNX_ID

MNXM5857

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₈H₃₀N₄O₆

charge

mass

518.21653

reference

chebi:80552

InChIKey

APWFTHDYKJHNEV-NDEPHWFRSA-N

InChI

InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1

SMILES

CCc1c2c(nc3ccc(OC(=O)N4CCC(N)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
seed.compound:cpd16357 seedM:cpd16357 CHEBI:80552 chebi:80552 kegg.compound:C16543 keggC:C16543	NPC
hmdb:HMDB0060499	NPC (19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl 4-aminopiperidine-1-carboxylate
hmdb:HMDB60499 keggC:M_C16543 seedM:M_cpd16357	secondary/obsolete/fantasy identifier