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IXB

Summary
Name:(3S)-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid
Synonyms:1-(3-carbamoylbenzoyl)-2,3-dihydro-1H-indole-3-carboxylic acid
Formula:C17 H14 N2 O4
Formal charge:0
Formula weight:310.304 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{S})-1-(3-aminocarbonylphenyl)carbonyl-2,3-dihydroindole-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H14N2O4/c18-15(20)10-4-3-5-11(8-10)16(21)19-9-13(17(22)23)12-6-1-2-7-14(12)19/h1-8,13H,9H2,(H2,18,20)(H,22,23)/t13-/m1/s1
InChIKeyInChI1.06OYXRIJPFODLVER-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1cccc(c1)C(=O)N2C[C@@H](C(O)=O)c3ccccc23
SMILESCACTVS3.385NC(=O)c1cccc(c1)C(=O)N2C[CH](C(O)=O)c3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)[C@@H](CN2C(=O)c3cccc(c3)C(=O)N)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(CN2C(=O)c3cccc(c3)C(=O)N)C(=O)O

249697

PDB entries from 2026-02-25

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