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dapdiamide A

Properties

Image

Occurences in reactions

MNX_ID

MNXM146540

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

formula

C₁₂H₂₀N₄O₅

charge

mass

300.14337

reference

chebi:84320

InChIKey

JAGLEOBXISHNNM-BRUQVKLWSA-N

InChI

InChI=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

SMILES

CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(N)=O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84320 chebi:84320	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	Dapdiamide A 3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine
seed.compound:cpd32903 seedM:cpd32903	N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-valine dapdiamide A
CHEBI:85330 chebi:85330	dapdiamide A 3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-valine
metacyc.compound:CPD-17539 metacycM:CPD-17539	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