3-[[2-azanylpropanoyl(2-methylpropyl)amino]carbamoyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide

Systemtic Name: 3-[[2-azanylpropanoyl(2-methylpropyl)amino]carbamoyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide Openeye Name: 3-[[2-aminopropanoyl(isobutyl)amino]carbamoyl]-2-[(E)-cinnamyl]-N,5-dimethyl-hexanamide CAS Name: 3-[[2-(2-amino-1-oxopropyl)-2-(2-methylpropyl)hydrazinyl]-oxomethyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide IUPAC Name: 3-[[2-aminopropanoyl(2-methylpropyl)amino]carbamoyl]-N,5-dimethyl-2-[(E)-3-phenylprop-2-enyl]hexanamide Traditional Name: (E)-2-[1-[[alanyl(isobutyl)amino]carbamoyl]-3-methyl-butyl]-N-methyl-5-phenyl-pent-4-enamide Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=CC1=CC=CC=C1)C(=O)NC)C(=O)NN(CC(C)C)C(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C25H40N4O3/c1-17(2)15-22(24(31)28-29(16-18(3)4)25(32)19(5)26)21(23(30)27-6)14-10-13-20-11-8-7-9-12-20/h7-13,17-19,21-22H,14-16,26H2,1-6H3,(H,27,30)(H,28,31)/b13-10+