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Summary Geometry Related PDB entries

O7C

Summary

Name:	1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one
Formula:	C23 H22 N2 O4
Formal charge:	0
Formula weight:	390.432 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1,4-dimethyl-5-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)benzimidazol-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H22N2O4/c1-14-16(22(28)20-18(26)9-6-10-19(20)27)11-12-17-21(14)25(23(29)24(17)2)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10,13H2,1-2H3
InChIKey	InChI	1.06	BLDJZCZVJMSDIC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)N(Cc2ccccc2)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILES	CACTVS	3.385	CN1C(=O)N(Cc2ccccc2)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3)C(=O)C4=C(CCCC4=O)O
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(ccc2c1N(C(=O)N2C)Cc3ccccc3)C(=O)C4=C(CCCC4=O)O

221051

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