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508

Summary

Name:	(1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
Formula:	C31 H34 N2 O
Formal charge:	0
Formula weight:	450.614 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R,4'S)-3,4-dihydro-2H-spiro[naphthalene-1,3'-pyrrolidin]-4'-yl[(2S,4R)-2,4-diphenylpiperidin-1-yl]methanone
OpenEye OEToolkits	1.7.2	[(2S,4R)-2,4-diphenylpiperidin-1-yl]-[(3'S,4R)-spiro[2,3-dihydro-1H-naphthalene-4,4'-pyrrolidine]-3'-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N3C(c1ccccc1)CC(c2ccccc2)CC3)C6C5(c4ccccc4CCC5)CNC6
InChI	InChI	1.03	InChI=1S/C31H34N2O/c34-30(28-21-32-22-31(28)18-9-15-24-12-7-8-16-27(24)31)33-19-17-26(23-10-3-1-4-11-23)20-29(33)25-13-5-2-6-14-25/h1-8,10-14,16,26,28-29,32H,9,15,17-22H2/t26-,28+,29+,31+/m1/s1
InChIKey	InChI	1.03	MXPUWFOJTXJTTA-RNWXARPHSA-N
SMILES_CANONICAL	CACTVS	3.370	O=C([C@@H]1CNC[C@]12CCCc3ccccc23)N4CC[C@H](C[C@H]4c5ccccc5)c6ccccc6
SMILES	CACTVS	3.370	O=C([CH]1CNC[C]12CCCc3ccccc23)N4CC[CH](C[CH]4c5ccccc5)c6ccccc6
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)C2CCN(C(C2)c3ccccc3)C(=O)C4CNCC45CCCc6c5cccc6

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