(2S)-N-ethanoyl-2-isocyanato-4-methyl-N-[(2R)-4-methyl-1-oxidanylidene-2-pyridin-4-yl-pentan-2-yl]pentanamide

Systemtic Name: (2S)-N-ethanoyl-2-isocyanato-4-methyl-N-[(2R)-4-methyl-1-oxidanylidene-2-pyridin-4-yl-pentan-2-yl]pentanamide Openeye Name: (2S)-N-acetyl-N-[(1R)-1-formyl-3-methyl-1-(4-pyridyl)butyl]-2-isocyanato-4-methyl-pentanamide CAS Name: (2S)-N-acetyl-2-isocyanato-4-methyl-N-[(2R)-4-methyl-1-oxo-2-pyridin-4-ylpentan-2-yl]pentanamide IUPAC Name: (2S)-N-acetyl-2-isocyanato-4-methyl-N-[(2R)-4-methyl-1-oxo-2-pyridin-4-ylpentan-2-yl]pentanamide Traditional Name: (2S)-N-acetyl-N-[(1R)-1-formyl-3-methyl-1-(4-pyridyl)butyl]-2-isocyanato-4-methyl-valeramide Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)N(C(=O)C)[C@@](CC(C)C)(C=O)C1=CC=NC=C1)N=C=O

InChI

InChI=1S/C20H27N3O4/c1-14(2)10-18(22-13-25)19(27)23(16(5)26)20(12-24,11-15(3)4)17-6-8-21-9-7-17/h6-9,12,14-15,18H,10-11H2,1-5H3/t18-,20-/m0/s1