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Summary Geometry Related PDB entries

M26

Summary

Name:	N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
Formula:	C19 H18 Br F N2 O3
Formal charge:	0
Formula weight:	421.26 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
OpenEye OEToolkits	2.0.7	~{N}-[(1~{R})-1-(3-bromophenyl)-2-methoxy-ethyl]-2-[(3~{S})-5-fluoranyl-2-oxidanylidene-1,3-dihydroindol-3-yl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O
InChI	InChI	1.06	InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1
InChIKey	InChI	1.06	HRBNXNLHEPAYDR-RDJZCZTQSA-N
SMILES_CANONICAL	CACTVS	3.385	COC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(F)cc12)c3cccc(Br)c3
SMILES	CACTVS	3.385	COC[CH](NC(=O)C[CH]1C(=O)Nc2ccc(F)cc12)c3cccc(Br)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COC[C@@H](c1cccc(c1)Br)NC(=O)C[C@H]2c3cc(ccc3NC2=O)F
SMILES	OpenEye OEToolkits	2.0.7	COCC(c1cccc(c1)Br)NC(=O)CC2c3cc(ccc3NC2=O)F

222926

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