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Summary Geometry Related PDB entries

QCP

Summary

Name:	AR-42
Synonyms:	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
Formula:	C18 H20 N2 O3
Formal charge:	0
Formula weight:	312.363 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
OpenEye OEToolkits	2.0.7	4-[[(2~{S})-3-methyl-2-phenyl-butanoyl]amino]-~{N}-oxidanyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C
InChI	InChI	1.03	InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey	InChI	1.03	LAMIXXKAWNLXOC-INIZCTEOSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
SMILES	CACTVS	3.385	CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO

226707

건을2024-10-30부터공개중

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