(2S)-2-azanyl-4-methyl-N-[2-oxidanyl-3-[2-(3-pyridin-2-ylphenyl)ethanoylamino]propyl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[2-oxidanyl-3-[2-(3-pyridin-2-ylphenyl)ethanoylamino]propyl]pentanamide Openeye Name: (2S)-2-amino-N-[2-hydroxy-3-[[2-[3-(2-pyridyl)phenyl]acetyl]amino]propyl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[2-hydroxy-3-[[1-oxo-2-[3-(2-pyridinyl)phenyl]ethyl]amino]propyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[2-hydroxy-3-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]propyl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[2-hydroxy-3-[[2-[3-(2-pyridyl)phenyl]acetyl]amino]propyl]-4-methyl-valeramide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(CNC(=O)CC1=CC=CC(=C1)C2=CC=CC=N2)O)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(CNC(=O)CC1=CC=CC(=C1)C2=CC=CC=N2)O)N

InChI

InChI=1S/C22H30N4O3/c1-15(2)10-19(23)22(29)26-14-18(27)13-25-21(28)12-16-6-5-7-17(11-16)20-8-3-4-9-24-20/h3-9,11,15,18-19,27H,10,12-14,23H2,1-2H3,(H,25,28)(H,26,29)/t18?,19-/m0/s1