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Summary
Name:2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
Formula:C17 H24 N2 O3
Formal charge:0
Formula weight:304.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-acetyl-N-[(1S)-1-benzyl-2-oxoethyl]-L-leucinamide
OpenEye OEToolkits1.5.0(2S)-2-acetamido-4-methyl-N-[(2S)-1-oxo-3-phenyl-propan-2-yl]pentanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C
SMILES_CANONICALCACTVS3.341CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
SMILESCACTVS3.341CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)C=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C=O)NC(=O)C
SMILESOpenEye OEToolkits1.5.0CC(C)CC(C(=O)NC(Cc1ccccc1)C=O)NC(=O)C
InChIInChI1.03InChI=1S/C17H24N2O3/c1-12(2)9-16(18-13(3)21)17(22)19-15(11-20)10-14-7-5-4-6-8-14/h4-8,11-12,15-16H,9-10H2,1-3H3,(H,18,21)(H,19,22)/t15-,16-/m0/s1
InChIKeyInChI1.03QRDDFQYJOFVDNR-HOTGVXAUSA-N

217705

PDB entries from 2024-03-27

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