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IDA

Summary
Name:(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-INDOL-7-YL)ACETIC ACID
Formula:C15 H18 N2 O3
Formal charge:0
Formula weight:274.315 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[2-(2-amino-2-oxoethyl)-5-propyl-1H-indol-7-yl]acetic acid
OpenEye OEToolkits1.5.02-[2-(2-amino-2-oxo-ethyl)-5-propyl-1H-indol-7-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)Cc1cc(cc2c1nc(c2)CC(=O)N)CCC
SMILES_CANONICALCACTVS3.341CCCc1cc(CC(O)=O)c2[nH]c(CC(N)=O)cc2c1
SMILESCACTVS3.341CCCc1cc(CC(O)=O)c2[nH]c(CC(N)=O)cc2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N
SMILESOpenEye OEToolkits1.5.0CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N
InChIInChI1.03InChI=1S/C15H18N2O3/c1-2-3-9-4-10-6-12(8-13(16)18)17-15(10)11(5-9)7-14(19)20/h4-6,17H,2-3,7-8H2,1H3,(H2,16,18)(H,19,20)
InChIKeyInChI1.03OMLOGGCSARAIGZ-UHFFFAOYSA-N

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PDB entries from 2024-07-24

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