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HIN

Summary
Name:(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-CHLOROETHYLKETONE
Formula:C16 H21 Cl N2 O3
Formal charge:0
Formula weight:324.803 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-acetyl-N-[(1S)-1-benzyl-4-chloro-2-oxobutyl]-L-alaninamide
OpenEye OEToolkits1.5.0(2S)-2-acetamido-N-[(2S)-5-chloro-3-oxo-1-phenyl-pentan-2-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04ClCCC(=O)C(NC(=O)C(NC(=O)C)C)Cc1ccccc1
SMILES_CANONICALCACTVS3.341C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl
SMILESCACTVS3.341C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C(=O)CCCl
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)CCCl)NC(=O)C
SMILESOpenEye OEToolkits1.5.0CC(C(=O)NC(Cc1ccccc1)C(=O)CCCl)NC(=O)C
InChIInChI1.03InChI=1S/C16H21ClN2O3/c1-11(18-12(2)20)16(22)19-14(15(21)8-9-17)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,18,20)(H,19,22)/t11-,14-/m0/s1
InChIKeyInChI1.03WABWAIGLGFELMI-FZMZJTMJSA-N

218853

PDB entries from 2024-04-24

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