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Summary Geometry Related PDB entries

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

Program	Version	Name
ACDLabs	12.01	benzyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
OpenEye OEToolkits	1.7.2	(phenylmethyl) (2'R,3S)-2-oxidanylidenespiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(OCc1ccccc1)C4NCC2(c3c(NC2=O)cccc3)C4
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	WDDNNMQSTPFSMZ-VQIMIIECSA-N
SMILES_CANONICAL	CACTVS	3.370	O=C(OCc1ccccc1)[C@H]2C[C@]3(CN2)C(=O)Nc4ccccc34
SMILES	CACTVS	3.370	O=C(OCc1ccccc1)[CH]2C[C]3(CN2)C(=O)Nc4ccccc34
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)COC(=O)C2CC3(CN2)c4ccccc4NC3=O

225158

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