Search MNXref
 Feedback

deoxybrevianamide E

MNXM124300 is deprecated and replaced by MNXM1100358
PropertiesImage
MNX_IDMNXM1100358 Image of MNXM1100358
referencechebi:72948
formulaC21H25N3O2
global charge0
mol weight351.45
InChIKeyKUGNSEAHJVSMAJ-IRXDYDNUSA-N
InChIInChI=1S/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1
SMILESC=CC(C)(C)C1=C(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C2=C(C=CC=C2)N1
MNX internals
InChI (mnx)InChI=1/C21H25N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-6,8-9,16-17,22H,1,7,10-12H2,2-3H3,(H,23,25)/t16-,17-/m0/s1 Image of MNXM1100358
SMILES (mnx)[CH2:1]=[CH:4][C:21]([CH3:2])([CH3:3])[C:18]1=[C:14]([CH2:12][C@H:16]2[C:20](=[O:26])[N:24]3[CH2:11][CH2:7][CH2:10][C@H:17]3[C:19]([OH:25])=[N:23]2)[C:13]2=[CH:8][CH:5]=[CH:6][CH:9]=[C:15]2[NH:22]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:72948
chebi:72948
KUGNSEAHJVSMAJ-IRXDYDNUSA-N 		deoxybrevianamide E
(3S,8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan anhydride
cyclo-2-(1,1-dimethylallyl)-L-tryptophyl-L-proline
cyclo-L-prolyl-2-(1,1-dimethylallyl)-L-tryptophan

kegg.compound:C20636
keggC:C20636
KUGNSEAHJVSMAJ-IRXDYDNUSA-N 		Deoxybrevianamide E

seed.compound:cpd31246
seedM:cpd31246
KUGNSEAHJVSMAJ-IRXDYDNUSA-N 		Deoxybrevianamide E
deoxybrevianamide E

metacyc.compound:CPD-15273
metacycM:CPD-15273
KUGNSEAHJVSMAJ-IRXDYDNUSA-N 		deoxybrevianamide E

keggC:M_C20636
seedM:M_cpd31246 		secondary/obsolete/fantasy identifier