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Summary

Name:	[4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:	C23 H24 F3 N3 O6 S
Formal charge:	0
Formula weight:	527.513 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[4-(trifluoromethoxy)phenyl]methyl (3aS,6aR)-3a-methyl-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
OpenEye OEToolkits	2.0.7	[4-(trifluoromethyloxy)phenyl]methyl (3~{a}~{S},6~{a}~{S})-3~{a}-methyl-2-(4-sulfamoylphenyl)carbonyl-3,4,6,6~{a}-tetrahydro-1~{H}-pyrrolo[3,4-c]pyrrole-5-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2(C)C1)C(=O)OCc1ccc(OC(F)(F)F)cc1
InChI	InChI	1.06	InChI=1S/C23H24F3N3O6S/c1-22-13-28(20(30)16-4-8-19(9-5-16)36(27,32)33)10-17(22)11-29(14-22)21(31)34-12-15-2-6-18(7-3-15)35-23(24,25)26/h2-9,17H,10-14H2,1H3,(H2,27,32,33)/t17?,22-/m0/s1
InChIKey	InChI	1.06	BGHGKELMYMNCFY-UGNFMNBCSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@]12CN(C[C@@H]1CN(C2)C(=O)c3ccc(cc3)[S](N)(=O)=O)C(=O)OCc4ccc(OC(F)(F)F)cc4
SMILES	CACTVS	3.385	C[C]12CN(C[CH]1CN(C2)C(=O)c3ccc(cc3)[S](N)(=O)=O)C(=O)OCc4ccc(OC(F)(F)F)cc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@@]12CN(C[C@H]1CN(C2)C(=O)OCc3ccc(cc3)OC(F)(F)F)C(=O)c4ccc(cc4)S(=O)(=O)N
SMILES	OpenEye OEToolkits	2.0.7	CC12CN(CC1CN(C2)C(=O)OCc3ccc(cc3)OC(F)(F)F)C(=O)c4ccc(cc4)S(=O)(=O)N

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