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Summary Geometry Related PDB entries

RVH

Summary

Name:	(2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide
Formula:	C18 H16 N4 O2
Formal charge:	0
Formula weight:	320.345 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	3.1.0.0	(2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H16N4O2/c1-11(22-10-12-6-2-3-7-13(12)17(22)24)16(23)21-18-19-14-8-4-5-9-15(14)20-18/h2-9,11H,10H2,1H3,(H2,19,20,21,23)/t11-/m1/s1
InChIKey	InChI	1.06	PWSSISUOJZBZFT-LLVKDONJSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3
SMILES	CACTVS	3.385	C[CH](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4ccccc4n3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C[C@H](C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccccc4C3=O

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