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deoxybrevianamide E

MNXM124300 is deprecated and replaced by MNXM1100358

Properties

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Occurences in reactions

MNX_ID

MNXM1100358

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₂₅N₃O₂

charge

mass

351.19468

reference

chebi:72948

InChIKey

KUGNSEAHJVSMAJ-IRXDYDNUSA-N

InChI

InChI=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

SMILES

C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:72948 chebi:72948	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	Deoxybrevianamide E
seed.compound:cpd31246 seedM:cpd31246	Deoxybrevianamide E deoxybrevianamide E
metacyc.compound:CPD-15273 metacycM:CPD-15273	deoxybrevianamide E
keggC:M_C20636 seedM:M_cpd31246	secondary/obsolete/fantasy identifier