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Summary Geometry Related PDB entries

F9H

Summary

Name:	(3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
Formula:	C23 H20 F3 N7 O4
Formal charge:	0
Formula weight:	515.445 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
OpenEye OEToolkits	2.0.7	(3~{S})-3-(5,5-dimethyl-2-oxidanylidene-1,3-oxazolidin-3-yl)-~{N}-(1~{H}-1,2,3,4-tetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]carbonyl-2~{H}-indole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC1(C)CN(C(=O)O1)C1(CN(C(=O)c2cccc(c2)C(F)(F)F)c2ccccc21)C(=O)Nc1nnn[NH]1
InChI	InChI	1.03	InChI=1S/C23H20F3N7O4/c1-21(2)11-33(20(36)37-21)22(18(35)27-19-28-30-31-29-19)12-32(16-9-4-3-8-15(16)22)17(34)13-6-5-7-14(10-13)23(24,25)26/h3-10H,11-12H2,1-2H3,(H2,27,28,29,30,31,35)/t22-/m1/s1
InChIKey	InChI	1.03	CIOWYUCMYWZPAD-JOCHJYFZSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1(C)CN(C(=O)O1)[C@@]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5
SMILES	CACTVS	3.385	CC1(C)CN(C(=O)O1)[C]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1(CN(C(=O)O1)[C@@]2(CN(c3c2cccc3)C(=O)c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C
SMILES	OpenEye OEToolkits	2.0.7	CC1(CN(C(=O)O1)C2(CN(c3c2cccc3)C(=O)c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C

223532

PDB entries from 2024-08-07

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