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NPC

PropertiesImage
MNX_IDMNXM5857 Image of MNXM5857
referencechebi:80552
formulaC28H30N4O6
global charge0
mol weight518.57
InChIKeyAPWFTHDYKJHNEV-NDEPHWFRSA-N
InChIInChI=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
SMILESCCC1=C2CN3C(=O)C4=C(C=C3C2=NC2=CC=C(OC(=O)N3CCC(N)CC3)C=C21)[C@@](O)(CC)C(=O)OC4
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM5857
SMILES (mnx)[CH3:1][CH2:3][C:17]1=[C:19]2[CH2:13][N:32]3[C:23](=[CH:12][C:21]4=[C:20]([CH2:14][O:37][C:26](=[O:34])[C@@:28]4([CH2:4][CH3:2])[OH:36])[C:25]3=[O:33])[C:24]2=[N:30][C:22]2=[C:18]1[CH:11]=[C:16]([O:38][C:27]([N:31]1[CH2:9][CH2:7][CH:15]([NH2:29])[CH2:8][CH2:10]1)=[O:35])[CH:5]=[CH:6]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd16357
seedM:cpd16357
CHEBI:80552
chebi:80552
kegg.compound:C16543
keggC:C16543
APWFTHDYKJHNEV-NDEPHWFRSA-N
APWFTHDYKJHNEV-NDEPHWFRSA-O 		NPC
hmdb:HMDB0060499
APWFTHDYKJHNEV-NDEPHWFRSA-N 		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