Search MNXref
 Feedback

dapdiamide B

PropertiesImage
MNX_IDMNXM146541 Image of MNXM146541
referencechebi:84321
formulaC13H22N4O5
global charge0
mol weight314.342
InChIKeyWSFQKSIBZODGPB-RWWNVWANSA-N
InChIInChI=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
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)/C=C/C(N)=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM146541
SMILES (mnx)[CH3:1][CH2:3][C@H:7]([CH3:2])[C@@H:11]([C:13](=[O:21])[OH:22])[N:17]=[C:12]([C@H:8]([CH2:6]/[N:16]=[C:10](/[CH:5]=[CH:4]/[C:9](=[NH:15])[OH:18])[OH:19])[NH2:14])[OH:20]
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:84321
chebi:84321
WSFQKSIBZODGPB-RWWNVWANSA-N 		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
WSFQKSIBZODGPB-OFANEYSTSA-N 		Dapdiamide B
3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine

seed.compound:cpd35925
seedM:cpd35925
WSFQKSIBZODGPB-RWWNVWANSA-N 		N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-isoleucine
dapdiamide B

CHEBI:85332
chebi:85332
WSFQKSIBZODGPB-RWWNVWANSA-N 		dapdiamide B
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine

metacyc.compound:CPD-17540
metacycM:CPD-17540
WSFQKSIBZODGPB-RWWNVWANSA-N 		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