(2S,3S)-2-isocyano-3-methyl-N-(phenylmethyl)pentanamide

Systemtic Name: (2S,3S)-2-isocyano-3-methyl-N-(phenylmethyl)pentanamide Openeye Name: (2S,3S)-N-benzyl-2-isocyano-3-methyl-pentanamide CAS Name: (2S,3S)-2-isocyano-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: (2S,3S)-N-benzyl-2-isocyano-3-methylpentanamide Traditional Name: (2S,3S)-N-benzyl-2-isocyano-3-methyl-valeramide Formula: C14H18N2O MolecularWeight: 230.30552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=CC=C1)[N+]#[C-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)[N+]#[C-]

InChI

InChI=1S/C14H18N2O/c1-4-11(2)13(15-3)14(17)16-10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-2H3,(H,16,17)/t11-,13-/m0/s1