CRR

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Summary

Name:3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID
Synonyms:CHROMOPYRROLIC ACID
Formula:C22 H15 N3 O4
Formal charge:0
Molecular weight:385.372 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid
OpenEye OEToolkits1.5.03,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5
SMILES_CANONICALCACTVS3.341OC(=O)c1[nH]c(C(O)=O)c(c2c[nH]c3ccccc23)c1c4c[nH]c5ccccc45
SMILESCACTVS3.341OC(=O)c1[nH]c(C(O)=O)c(c2c[nH]c3ccccc23)c1c4c[nH]c5ccccc45
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5
InChIInChI1.03InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
InChIKeyInChI1.03FZDVNXHYGMEEDT-UHFFFAOYSA-N
169117
PDB entries from 2020-09-23