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09A

Summary
Name:benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
Formula:C19 H18 N2 O3
Formal charge:0
Formula weight:322.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
OpenEye OEToolkits1.7.2(phenylmethyl) (2'R,3S)-2-oxidanylidenespiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCc1ccccc1)C4NCC2(c3c(NC2=O)cccc3)C4
InChIInChI1.03InChI=1S/C19H18N2O3/c22-17(24-11-13-6-2-1-3-7-13)16-10-19(12-20-16)14-8-4-5-9-15(14)21-18(19)23/h1-9,16,20H,10-12H2,(H,21,23)/t16-,19-/m1/s1
InChIKeyInChI1.03WDDNNMQSTPFSMZ-VQIMIIECSA-N
SMILES_CANONICALCACTVS3.370O=C(OCc1ccccc1)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34
SMILESCACTVS3.370O=C(OCc1ccccc1)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)COC(=O)C2CC3(CN2)c4ccccc4NC3=O

224931

PDB entries from 2024-09-11

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