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dapdiamide B

Properties

Image

Occurences in reactions

MNX_ID

MNXM146541

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

formula

C₁₃H₂₂N₄O₅

charge

mass

314.15902

reference

chebi:84321

InChIKey

WSFQKSIBZODGPB-RWWNVWANSA-N

InChI

InChI=1S/C13H22N4O5/c1-3-7(2)11(13(21)22)17-12(20)8(14)6-16-10(19)5-4-9(15)18/h4-5,7-8,11H,3,6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b5-4+/t7-,8-,11-/m0/s1

SMILES

CC[C@H](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:84321 chebi:84321	dapdiamide B (2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate dapdiamide B zwitterion
kegg.compound:C20963 keggC:C20963	Dapdiamide B 3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine
seed.compound:cpd35925 seedM:cpd35925	N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-isoleucine dapdiamide B
CHEBI:85332 chebi:85332	dapdiamide B 3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine
metacyc.compound:CPD-17540 metacycM:CPD-17540	dapdiamide B N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-isoleucine
keggC:M_C20963 seedM:M_cpd35925	secondary/obsolete/fantasy identifier