MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]

	Properties	Image
MNX_ID	MNXM97232
reference	chebi:71618
formula	C₁₅H₁₈N₂O₂
global charge	0
mol weight	258.321
InChIKey	JYJCBJDZVMKEFV-VWLVURMCSA-N
InChI	InChI=1S/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9-/t12-/m0/s1
SMILES	CC(C)C[C@@H]1NC(=O)/C(=C/C2=CC=CC=C2)NC1=O

MNX internals

InChI (mnx)	InChI=1/C15H18N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H,16,19)(H,17,18)/b13-9-/t12-/m0/s1
SMILES (mnx)	[CH3:1][CH:10]([CH3:2])[CH2:8][C@H:12]1[C:14]([OH:18])=[N:17]/[C:13](=[CH:9]\[C:11]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[C:15]([OH:19])=[N:16]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
Identifier	Description
CHEBI:71618 chebi:71618 JYJCBJDZVMKEFV-VWLVURMCSA-N	cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl] (3Z,6S)-3-benzylidene-6-isobutylpiperazine-2,5-dione cyclo(DeltaPhe-L-Leu) cyclo(L-Leu-DeltaPhe) cyclo(L-leucyl-dehydrophenylalanyl) cyclo(dehydrophenylalanyl-L-leucyl)
seed.compound:cpd31164 seedM:cpd31164 kegg.compound:C20521 keggC:C20521 JYJCBJDZVMKEFV-VWLVURMCSA-N	Cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl] (3Z,6S)-3-Benzylidene-6-(2-methylpropyl)piperazine-2,5-dione
metacyc.compound:CPD-15207 metacycM:CPD-15207 seed.compound:cpd32362 seedM:cpd32362 JYJCBJDZVMKEFV-LCYFTJDESA-N	cyclo[(Z)-alpha,beta-didehydrophenylalanyl-L-leucyl]
keggC:M_C20521 seedM:M_cpd31164 seedM:M_cpd32362	secondary/obsolete/fantasy identifier