6-methyl-N-[1-(methylamino)-1-oxidanylidene-propan-2-yl]-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-3-oxidanyl-heptanamide

Systemtic Name: 6-methyl-N-[1-(methylamino)-1-oxidanylidene-propan-2-yl]-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-3-oxidanyl-heptanamide Openeye Name: 3-hydroxy-6-methyl-N-[1-methyl-2-(methylamino)-2-oxo-ethyl]-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanamide CAS Name: 3-hydroxy-6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-4-[[3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]heptanamide IUPAC Name: 3-hydroxy-6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-4-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanamide Traditional Name: 3-hydroxy-4-[[2-(isovalerylamino)-3-methyl-butanoyl]amino]-N-[2-keto-1-methyl-2-(methylamino)ethyl]-6-methyl-enanthamide Formula: C22H42N4O5 MolecularWeight: 442.59268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)NC(C)C(=O)NC)O)NC(=O)C(C(C)C)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(C(CC(=O)NC(C)C(=O)NC)O)NC(=O)C(C(C)C)NC(=O)CC(C)C

InChI

InChI=1S/C22H42N4O5/c1-12(2)9-16(17(27)11-19(29)24-15(7)21(30)23-8)25-22(31)20(14(5)6)26-18(28)10-13(3)4/h12-17,20,27H,9-11H2,1-8H3,(H,23,30)(H,24,29)(H,25,31)(H,26,28)