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indole-3-pyruvate imine dimer

MNXM163824 is deprecated and replaced by MNXM1100949
PropertiesImage
MNX_IDMNXM1100949 Image of MNXM1100949
referencechebi:133928
formulaC22H18N4O4
global charge0
mol weight402.41
InChIKeyCKBGWXPNAUCVQQ-UHFFFAOYSA-N
InChIInChI=1S/C22H18N4O4/c23-19(21(27)28)17(13-9-25-15-7-3-1-5-11(13)15)18(20(24)22(29)30)14-10-26-16-8-4-2-6-12(14)16/h1-10,17-18,23-26H,(H,27,28)(H,29,30)
SMILES[NH2+]=C(C(=O)[O-])C(C1=CNC2=CC=CC=C21)C(C(=[NH2+])C(=O)[O-])C1=CNC2=C1C=CC=C2
MNX internals
InChI (mnx)InChI=1/C22H18N4O4/c23-19(21(27)28)17(13-9-25-15-7-3-1-5-11(13)15)18(20(24)22(29)30)14-10-26-16-8-4-2-6-12(14)16/h1-10,17-18,23-26H,(H,27,28)(H,29,30)/b23-19?,24-20?/t17?,18? Image of MNXM1100949
SMILES (mnx)[CH:1]1=[CH:3][CH:7]=[C:15]2[C:11](=[CH:5]1)[C:13]([CH:17]([CH:18]([C:14]1=[CH:10][NH:26][C:16]3=[CH:8][CH:4]=[CH:2][CH:6]=[C:12]13)[C:20]([C:22]([OH:29])=[O:30])=[NH:24])[C:19]([C:21]([OH:27])=[O:28])=[NH:23])=[CH:9][NH:25]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133928
chebi:133928
CKBGWXPNAUCVQQ-UHFFFAOYSA-N 		indole-3-pyruvate imine dimer
2,5-diiminio-3,4-bis(1H-indol-3-yl)hexanedioate
2,5-diiminio-3,4-bis(indol-3-yl)hexanedioate
2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid dizwitterion

CHEBI:136433
chebi:136433
CKBGWXPNAUCVQQ-UHFFFAOYSA-N 		2,5-diimino-3,4-bis(indol-3-yl)hexanedioic acid
2,5-diimino-3,4-di(1H-indol-3-yl)hexanedioic acid
indole-3-pyruvic acid imine dimer

metacyc.compound:CPD-19471
metacycM:CPD-19471
seed.compound:cpd35927
seedM:cpd35927
CKBGWXPNAUCVQQ-UHFFFAOYSA-L
CKBGWXPNAUCVQQ-UHFFFAOYSA-N 		N-[2-(carboxylatoamino)-1,2-bis(1H-indol-3-yl)ethyl]carbamate

seedM:M_cpd35927 		secondary/obsolete/fantasy identifier