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SummaryGeometryRelated PDB entries

LZF

Summary
Name:5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
Formula:C23 H22 Cl F N4 O4 S
Formal charge:0
Formula weight:504.962 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-4-methoxypyrrolidin-3-yl]thiophene-2-carboxamide
OpenEye OEToolkits1.5.05-chloro-N-[(1S,3S,4S)-1-[2-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]amino]-2-oxo-ethyl]-4-methoxy-pyrrolidin-3-yl]thiophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC3C(OC)CN(CC(=O)Nc2ccc(N1C=CC=CC1=O)cc2F)C3)c4sc(Cl)cc4
SMILES_CANONICALCACTVS3.341CO[C@H]1CN(C[C@@H]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O
SMILESCACTVS3.341CO[CH]1CN(C[CH]1NC(=O)c2sc(Cl)cc2)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O
SMILESOpenEye OEToolkits1.5.0COC1CN(CC1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O
InChIInChI1.03InChI=1S/C23H22ClFN4O4S/c1-33-18-12-28(11-17(18)27-23(32)19-7-8-20(24)34-19)13-21(30)26-16-6-5-14(10-15(16)25)29-9-3-2-4-22(29)31/h2-10,17-18H,11-13H2,1H3,(H,26,30)(H,27,32)/t17-,18-/m0/s1
InChIKeyInChI1.03BOCLXHFYRGMFSC-ROUUACIJSA-N

218853

PDB entries from 2024-04-24

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