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SU1

Summary
Name:3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Synonyms:SU5402
Formula:C17 H16 N2 O3
Formal charge:0
Formula weight:296.321 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
OpenEye OEToolkits1.5.03-[4-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
SMILES_CANONICALCACTVS3.341Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
SMILESCACTVS3.341Cc1c[nH]c(C=C2C(=O)Nc3ccccc23)c1CCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1c[nH]c(c1CCC(=O)O)\C=C/2\c3ccccc3NC2=O
SMILESOpenEye OEToolkits1.5.0Cc1c[nH]c(c1CCC(=O)O)C=C2c3ccccc3NC2=O
InChIInChI1.03InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
InChIKeyInChI1.03JNDVEAXZWJIOKB-JYRVWZFOSA-N

218853

PDB entries from 2024-04-24

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