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dapdiamide A

PropertiesImage
MNX_IDMNXM146540 Image of MNXM146540
referencechebi:84320
formulaC12H20N4O5
global charge0
mol weight300.315
InChIKeyJAGLEOBXISHNNM-BRUQVKLWSA-N
InChIInChI=1S/C12H20N4O5/c1-6(2)10(12(20)21)16-11(19)7(13)5-15-9(18)4-3-8(14)17/h3-4,6-7,10H,5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/b4-3+/t7-,10-/m0/s1
SMILESCC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(N)=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H20N4O5/c1-6(2)10(12(20)21)16-11(19)7(13)5-15-9(18)4-3-8(14)17/h3-4,6-7,10H,5,13H2,1-2H3,(H2,14,17)(H,15,18)(H,16,19)(H,20,21)/b4-3+/t7-,10-/m0/s1 Image of MNXM146540
SMILES (mnx)[CH3:1][CH:6]([CH3:2])[C@@H:10]([C:12](=[O:20])[OH:21])[N:16]=[C:11]([C@H:7]([CH2:5]/[N:15]=[C:9](/[CH:4]=[CH:3]/[C:8](=[NH:14])[OH:17])[OH:18])[NH2:13])[OH:19]
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:84320
chebi:84320
JAGLEOBXISHNNM-BRUQVKLWSA-N 		dapdiamide A
(2S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylbutanoate
dapdiamide A zwitterion

kegg.compound:C20962
keggC:C20962
JAGLEOBXISHNNM-BRUQVKLWSA-N 		Dapdiamide A
3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine

seed.compound:cpd32903
seedM:cpd32903
JAGLEOBXISHNNM-BRUQVKLWSA-N 		N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-valine
dapdiamide A

CHEBI:85330
chebi:85330
JAGLEOBXISHNNM-BRUQVKLWSA-N 		dapdiamide A
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine

metacyc.compound:CPD-17539
metacycM:CPD-17539
JAGLEOBXISHNNM-BRUQVKLWSA-N 		dapdiamide A
N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-valine

keggC:M_C20962
seedM:M_cpd32903 		secondary/obsolete/fantasy identifier