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JVX

Summary
Name:N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide
Formula:C23 H30 Cl N3 O2
Formal charge:0
Formula weight:415.956 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide
OpenEye OEToolkits2.0.7(2~{R})-~{N}-~{tert}-butyl-2-[(4-~{tert}-butylphenyl)-(2-chloranylethanoyl)amino]-2-pyridin-3-yl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1)C(=O)NC(C)(C)C
InChIInChI1.06InChI=1S/C23H30ClN3O2/c1-22(2,3)17-9-11-18(12-10-17)27(19(28)14-24)20(16-8-7-13-25-15-16)21(29)26-23(4,5)6/h7-13,15,20H,14H2,1-6H3,(H,26,29)/t20-/m1/s1
InChIKeyInChI1.06RTMPWBZHQAQVCW-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)C(C)(C)C)c2cccnc2
SMILESCACTVS3.385CC(C)(C)NC(=O)[CH](N(C(=O)CCl)c1ccc(cc1)C(C)(C)C)c2cccnc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)CCl
SMILESOpenEye OEToolkits2.0.7CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C)C)C(=O)CCl

218853

PDB entries from 2024-04-24

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