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Summary Geometry Related PDB entries

57N

Summary

Name:	(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
Formula:	C19 H15 N3 O2 S
Formal charge:	0
Formula weight:	349.406 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
OpenEye OEToolkits	1.9.2	(2R)-2-(3-oxidanylidene-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(nccs1)NC(C(c2ccccc2)N4C(c3ccccc3C4)=O)=O
InChI	InChI	1.03	InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)/t16-/m1/s1
InChIKey	InChI	1.03	PWRVRDCBFYLYFU-MRXNPFEDSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1sccn1)[C@H](N2Cc3ccccc3C2=O)c4ccccc4
SMILES	CACTVS	3.385	O=C(Nc1sccn1)[CH](N2Cc3ccccc3C2=O)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)C(C(=O)Nc2nccs2)N3Cc4ccccc4C3=O

225681

건을2024-10-02부터공개중

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