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echinulin

MNXM104775 is deprecated and replaced by MNXM104774
PropertiesImage
MNX_IDMNXM104774 Image of MNXM104774
referencechebi:68193
formulaC29H39N3O2
global charge0
mol weight461.65
InChIKeyDIKMWTRJIZQJMY-CYFREDJKSA-N
InChIInChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
SMILESC=CC(C)(C)C1=C(C[C@@H]2NC(=O)[C@H](C)NC2=O)C2=CC(CC=C(C)C)=CC(CC=C(C)C)=C2N1
MNX internals
InChI (mnx)InChI=1/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1 Image of MNXM104774
SMILES (mnx)[CH2:1]=[CH:9][C:29]([CH3:7])([CH3:8])[C:26]1=[C:23]([CH2:16][C@H:24]2[C:28]([OH:34])=[N:30][C@@H:19]([CH3:6])[C:27]([OH:33])=[N:31]2)[C:22]2=[CH:15][C:20]([CH2:12][CH:10]=[C:17]([CH3:2])[CH3:3])=[CH:14][C:21]([CH2:13][CH:11]=[C:18]([CH3:4])[CH3:5])=[C:25]2[NH:32]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:68193
chebi:68193
DIKMWTRJIZQJMY-CYFREDJKSA-N 		echinulin
(3S,6S)-3-[[2-(1,1-dimethyl-2-propen-1-yl)-5,7-bis(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-6-methyl-2,5-piperazinedione
(3S,6S)-3-methyl-6-{[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}piperazine-2,5-dione
echinuline

chebi:68784 		secondary/obsolete/fantasy identifier