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Summary Geometry Related PDB entries

ZTT

Summary

Name:	(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one
Synonyms:	(1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
Formula:	C26 H28 N2 O4
Formal charge:	0
Formula weight:	432.512 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(1~{R})-7-[2-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H28N2O4/c1-17-23-7-5-21(15-19(23)9-11-27(3)25(17)29)31-13-14-32-22-6-8-24-18(2)26(30)28(4)12-10-20(24)16-22/h5-12,15-18H,13-14H2,1-4H3
InChIKey	InChI	1.06	HXVCPXGIAZLACO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12
SMILES	CACTVS	3.385	C[CH]1C(=O)N(C)C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@H]1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN(C(=O)[C@@H]4C)C
SMILES	OpenEye OEToolkits	2.0.7	CC1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN(C(=O)C4C)C

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건을2024-07-10부터공개중

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