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Summary Geometry Related PDB entries

UO1

Summary

Name:	N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
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	N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
OpenEye OEToolkits	1.9.2	N-(1-ethanoylindol-3-yl)-N-(2-methyl-5-oxidanyl-phenyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)=O)cccc3
InChI	InChI	1.03	InChI=1S/C19H18N2O3/c1-12-8-9-15(24)10-18(12)21(14(3)23)19-11-20(13(2)22)17-7-5-4-6-16(17)19/h4-11,24H,1-3H3
InChIKey	InChI	1.03	NXETYAFZIDRMKK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13
SMILES	CACTVS	3.385	CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc13
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O
SMILES	OpenEye OEToolkits	1.9.2	Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O

222415

건을2024-07-10부터공개중

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