2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-methyl-pentanamide

Systemtic Name: 2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-methyl-pentanamide Openeye Name: 2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-amino-1-benzyl-2-oxo-ethyl)-3-methyl-pentanamide CAS Name: 2-[[2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide IUPAC Name: 2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide Traditional Name: 2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-(2-amino-1-benzyl-2-keto-ethyl)-3-methyl-valeramide Formula: C23H32N6O4 MolecularWeight: 456.53798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C

InChI

InChI=1S/C23H32N6O4/c1-4-14(2)20(23(33)28-18(21(24)31)10-16-8-6-5-7-9-16)29-22(32)19(27-15(3)30)11-17-12-25-13-26-17/h5-9,12-14,18-20H,4,10-11H2,1-3H3,(H2,24,31)(H,25,26)(H,27,30)(H,28,33)(H,29,32)