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Summary Geometry Related PDB entries

82Q

Summary

Name:	(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide
Formula:	C23 H22 N2 O2
Formal charge:	0
Formula weight:	358.433 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{R},4~{R})-1-ethanoyl-~{N}-naphthalen-1-yl-4-phenyl-pyrrolidine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H22N2O2/c1-16(26)25-15-19(17-8-3-2-4-9-17)14-22(25)23(27)24-21-13-7-11-18-10-5-6-12-20(18)21/h2-13,19,22H,14-15H2,1H3,(H,24,27)/t19-,22+/m0/s1
InChIKey	InChI	1.06	HXZFWDRYUUGFOU-SIKLNZKXSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N1C[C@H](C[C@@H]1C(=O)Nc2cccc3ccccc23)c4ccccc4
SMILES	CACTVS	3.385	CC(=O)N1C[CH](C[CH]1C(=O)Nc2cccc3ccccc23)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N1C[C@H](C[C@@H]1C(=O)Nc2cccc3c2cccc3)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N1CC(CC1C(=O)Nc2cccc3c2cccc3)c4ccccc4

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