(E)-3-acetamido-N-[[14,14-dimethyl-5-(2-methylpropyl)-3,6,9,15-tetrakis(oxidanylidene)-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl]methyl]prop-2-enamide

Systemtic Name: (E)-3-acetamido-N-[[14,14-dimethyl-5-(2-methylpropyl)-3,6,9,15-tetrakis(oxidanylidene)-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl]methyl]prop-2-enamide Openeye Name: (E)-3-acetamido-N-[(5-isobutyl-14,14-dimethyl-3,6,9,15-tetraoxo-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl)methyl]prop-2-enamide CAS Name: (E)-3-acetamido-N-[[14,14-dimethyl-5-(2-methylpropyl)-3,6,9,15-tetraoxo-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl]methyl]-2-propenamide IUPAC Name: (E)-3-acetamido-N-[[14,14-dimethyl-5-(2-methylpropyl)-3,6,9,15-tetraoxo-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl]methyl]prop-2-enamide Traditional Name: (E)-3-acetamido-N-[(5-isobutyl-3,6,9,15-tetraketo-14,14-dimethyl-1,4,7,10,13-pentazabicyclo[10.2.1]pentadecan-8-yl)methyl]acrylamide Formula: C22H35N7O6 MolecularWeight: 493.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC(C(=O)NCC2C(=O)N(CC(=O)N1)C(N2)(C)C)CNC(=O)C=CNC(=O)C

Isomeric SMILES

CC(C)CC1C(=O)NC(C(=O)NCC2C(=O)N(CC(=O)N1)C(N2)(C)C)CNC(=O)/C=C/NC(=O)C

InChI

InChI=1S/C22H35N7O6/c1-12(2)8-14-20(34)27-15(9-24-17(31)6-7-23-13(3)30)19(33)25-10-16-21(35)29(11-18(32)26-14)22(4,5)28-16/h6-7,12,14-16,28H,8-11H2,1-5H3,(H,23,30)(H,24,31)(H,25,33)(H,26,32)(H,27,34)/b7-6+