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A1BCA

Summary
Name:(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
Formula:C13 H15 N3 O2
Formal charge:0
Formula weight:245.277 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
OpenEye OEToolkits2.0.7(5~{S})-7-(phenylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C1NC(=O)NC21CCN(C2)Cc1ccccc1
InChIInChI1.06InChI=1S/C13H15N3O2/c17-11-13(15-12(18)14-11)6-7-16(9-13)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,17,18)/t13-/m0/s1
InChIKeyInChI1.06RZHBDUGHJGKVFY-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385O=C1NC(=O)[C@@]2(CCN(Cc3ccccc3)C2)N1
SMILESCACTVS3.385O=C1NC(=O)[C]2(CCN(Cc3ccccc3)C2)N1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CC[C@]3(C2)C(=O)NC(=O)N3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CN2CCC3(C2)C(=O)NC(=O)N3

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PDB entries from 2026-01-14

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