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A1PRD

Summary
Name:(7R)-5-(4-carbamamidobenzoyl)-5-azaspiro[3.5]nonane-7-carboxylic acid
Formula:C17 H21 N3 O4
Formal charge:0
Formula weight:331.366 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(7R)-5-(4-carbamamidobenzoyl)-5-azaspiro[3.5]nonane-7-carboxylic acid
OpenEye OEToolkits3.1.0.0(7~{R})-5-[4-(aminocarbonylamino)phenyl]carbonyl-5-azaspiro[3.5]nonane-7-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)Nc1ccc(cc1)C(=O)N1CC(CCC21CCC2)C(=O)O
InChIInChI1.06InChI=1S/C17H21N3O4/c18-16(24)19-13-4-2-11(3-5-13)14(21)20-10-12(15(22)23)6-9-17(20)7-1-8-17/h2-5,12H,1,6-10H2,(H,22,23)(H3,18,19,24)/t12-/m1/s1
InChIKeyInChI1.06UQODTOWJGRYFAU-GFCCVEGCSA-N
SMILES_CANONICALCACTVS3.385NC(=O)Nc1ccc(cc1)C(=O)N2C[C@@H](CCC23CCC3)C(O)=O
SMILESCACTVS3.385NC(=O)Nc1ccc(cc1)C(=O)N2C[CH](CCC23CCC3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1C(=O)N2C[C@@H](CCC23CCC3)C(=O)O)NC(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1C(=O)N2CC(CCC23CCC3)C(=O)O)NC(=O)N

262513

PDB entries from 2026-11-04

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