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dapdiamide C

PropertiesImage
MNX_IDMNXM146542 Image of MNXM146542
referencechebi:84322
formulaC13H22N4O5
global charge0
mol weight314.342
InChIKeyMJPKMDAPFRGJGV-FBFNWGNUSA-N
InChIInChI=1S/C13H22N4O5/c1-7(2)5-9(13(21)22)17-12(20)8(14)6-16-11(19)4-3-10(15)18/h3-4,7-9H,5-6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b4-3+/t8-,9-/m0/s1
SMILESCC(C)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/c1-7(2)5-9(13(21)22)17-12(20)8(14)6-16-11(19)4-3-10(15)18/h3-4,7-9H,5-6,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/b4-3+/t8-,9-/m0/s1 Image of MNXM146542
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[CH2:5][C@@H:9]([C:13](=[O:21])[OH:22])[N:17]=[C:12]([C@H:8]([CH2:6]/[N:16]=[C:11](/[CH:4]=[CH:3]/[C:10](=[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:84322
chebi:84322
MJPKMDAPFRGJGV-FBFNWGNUSA-N 		dapdiamide C
(2S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-4-methylpentanoate
dapdiamide C zwitterion

kegg.compound:C20964
keggC:C20964
MJPKMDAPFRGJGV-FBFNWGNUSA-N 		Dapdiamide C
3-{[(2E)-4-Amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-leucine

seed.compound:cpd33366
seedM:cpd33366
MJPKMDAPFRGJGV-FBFNWGNUSA-N 		N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-leucine
dapdiamide C

CHEBI:85333
chebi:85333
MJPKMDAPFRGJGV-FBFNWGNUSA-N 		dapdiamide C
3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-leucine

metacyc.compound:CPD-17541
metacycM:CPD-17541
MJPKMDAPFRGJGV-FBFNWGNUSA-N 		dapdiamide C
N-[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-methylpropanoyl]-L-leucine

keggC:M_C20964
seedM:M_cpd33366 		secondary/obsolete/fantasy identifier