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N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine

MNXM168407 is deprecated and here replaced by MNXM1368644
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368644 Image of MNXM1368644
referencechebi:190274
formulaC12H20N4O6
global charge0
mol weight316.314
InChIKeyHCGFOSJNUODEOH-LHZZQDSXSA-N
InChIInChI=1S/C12H20N4O6/c1-4(2)6(12(20)21)16-10(18)5(13)3-15-11(19)8-7(22-8)9(14)17/h4-8H,3,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t5-,6-,7?,8?/m0/s1
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)C1OC1C(N)=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C12H20N4O6/c1-4(2)6(12(20)21)16-10(18)5(13)3-15-11(19)8-7(22-8)9(14)17/h4-8H,3,13H2,1-2H3,(H2,14,17)(H,15,19)(H,16,18)(H,20,21)/t5-,6-,7?,8?/m0/s1 Image of MNXM1368644
SMILES (mnx)[CH3:1][CH:4]([CH3:2])[C@@H:6]([C:12](=[O:20])[OH:21])[N:16]=[C:10]([C@H:5]([CH2:3][N:15]=[C:11]([CH:8]1[CH:7]([C:9](=[NH:14])[OH:17])[O:22]1)[OH:19])[NH2:13])[OH:18]
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:190274
chebi:190274
HCGFOSJNUODEOH-LHZZQDSXSA-N 		N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine
(2S)-2-[[(2S)-2-amino-3-[(3-carbamoyloxirane-2-carbonyl)amino]propanoyl]amino]-3-methylbutanoic acid

kegg.compound:C20965
keggC:C20965
HCGFOSJNUODEOH-LHZZQDSXSA-N 		N(beta)-Epoxysuccinamoyl-DAP-Val
3-({[(2R,3R)-3-Carbamoyloxiran-2-yl]carbonyl}amino)-L-alanyl-L-valine
N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine

keggC:M_C20965 		secondary/obsolete/fantasy identifier