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tryprostatin A

MNXM145098 is deprecated and replaced by MNXM1100356
PropertiesImage
MNX_IDMNXM1100356 Image of MNXM1100356
referencechebi:72761
formulaC22H27N3O3
global charge0
mol weight381.476
InChIKeyXNRPVPHNDQHWLJ-PMACEKPBSA-N
InChIInChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1
SMILESCOC1=CC2=C(C=C1)C(C[C@@H]1NC(=O)[C@@H]3CCCN3C1=O)=C(CC=C(C)C)N2
MNX internals
InChI (mnx)InChI=1/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1 Image of MNXM1100356
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:6][CH2:9][C:17]1=[C:16]([CH2:12][C@H:19]2[C:22](=[O:27])[N:25]3[CH2:10][CH2:4][CH2:5][C@H:20]3[C:21]([OH:26])=[N:24]2)[C:15]2=[C:18]([CH:11]=[C:14]([O:28][CH3:3])[CH:7]=[CH:8]2)[NH:23]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72761
chebi:72761
XNRPVPHNDQHWLJ-PMACEKPBSA-N 		tryprostatin A
(3S,8aS)-3-{[6-methoxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

kegg.compound:C20607
keggC:C20607
XNRPVPHNDQHWLJ-PMACEKPBSA-N 		Tryprostatin A
(3S,8aS)-3-{[6-Methoxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

seed.compound:cpd31225
seedM:cpd31225
XNRPVPHNDQHWLJ-PMACEKPBSA-N 		Tryprostatin A
tryprostatin A

metacyc.compound:CPD-15262
metacycM:CPD-15262
XNRPVPHNDQHWLJ-PMACEKPBSA-N 		tryprostatin A

keggC:M_C20607
seedM:M_cpd31225 		secondary/obsolete/fantasy identifier