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A1CQE

Summary
Name:N-{[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}glycine
Formula:C13 H11 F3 N2 O4 S
Formal charge:0
Formula weight:348.298 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{[(2S)-3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}glycine
OpenEye OEToolkits3.1.0.02-[2-[(2~{S})-3-oxidanylidene-6-(trifluoromethyl)-4~{H}-1,4-benzothiazin-2-yl]ethanoylamino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)CNC(=O)CC1Sc2ccc(cc2NC1=O)C(F)(F)F
InChIInChI1.06InChI=1S/C13H11F3N2O4S/c14-13(15,16)6-1-2-8-7(3-6)18-12(22)9(23-8)4-10(19)17-5-11(20)21/h1-3,9H,4-5H2,(H,17,19)(H,18,22)(H,20,21)/t9-/m0/s1
InChIKeyInChI1.06QOZYXBALBJWXNK-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385OC(=O)CNC(=O)C[C@@H]1Sc2ccc(cc2NC1=O)C(F)(F)F
SMILESCACTVS3.385OC(=O)CNC(=O)C[CH]1Sc2ccc(cc2NC1=O)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(cc1C(F)(F)F)NC(=O)[C@@H](S2)CC(=O)NCC(=O)O
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(cc1C(F)(F)F)NC(=O)C(S2)CC(=O)NCC(=O)O

254227

PDB entries from 2026-05-27

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