4-methyl-2-[2-(3-phenylpropanoylamino)ethanoylamino]pentanamide

Systemtic Name: 4-methyl-2-[2-(3-phenylpropanoylamino)ethanoylamino]pentanamide Openeye Name: 4-methyl-2-[[2-(3-phenylpropanoylamino)acetyl]amino]pentanamide CAS Name: 4-methyl-2-[[1-oxo-2-[(1-oxo-3-phenylpropyl)amino]ethyl]amino]pentanamide IUPAC Name: 4-methyl-2-[[2-(3-phenylpropanoylamino)acetyl]amino]pentanamide Traditional Name: 2-[[2-(hydrocinnamoylamino)acetyl]amino]-4-methyl-valeramide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)CNC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=O)CNC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O3/c1-12(2)10-14(17(18)23)20-16(22)11-19-15(21)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,18,23)(H,19,21)(H,20,22)