N-[(2S)-1-azido-4-methyl-pentan-2-yl]-4-[(2-phenylethanoylamino)methyl]benzamide

Systemtic Name: N-[(2S)-1-azido-4-methyl-pentan-2-yl]-4-[(2-phenylethanoylamino)methyl]benzamide Openeye Name: N-[(1S)-1-(azidomethyl)-3-methyl-butyl]-4-[[(2-phenylacetyl)amino]methyl]benzamide CAS Name: N-[(2S)-1-azido-4-methylpentan-2-yl]-4-[[(1-oxo-2-phenylethyl)amino]methyl]benzamide IUPAC Name: N-[(2S)-1-azido-4-methylpentan-2-yl]-4-[[(2-phenylacetyl)amino]methyl]benzamide Traditional Name: N-[(1S)-1-(azidomethyl)-3-methyl-butyl]-4-[[(2-phenylacetyl)amino]methyl]benzamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN=[N+]=[N-])NC(=O)C1=CC=C(C=C1)CNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CN=[N+]=[N-])NC(=O)C1=CC=C(C=C1)CNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C22H27N5O2/c1-16(2)12-20(15-25-27-23)26-22(29)19-10-8-18(9-11-19)14-24-21(28)13-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3,(H,24,28)(H,26,29)/t20-/m0/s1