5-bromanyl-3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 5-bromanyl-3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 5-bromo-3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxo-pentanoic acid CAS Name: 5-bromo-3-[[2-[[3-methyl-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]butyl]amino]-1-oxopropyl]amino]-4-oxopentanoic acid IUPAC Name: 5-bromo-3-[2-[[3-methyl-2-(3-phenylpropanoylamino)butanoyl]amino]propanoylamino]-4-oxopentanoic acid Traditional Name: 5-bromo-3-[2-[[2-(hydrocinnamoylamino)-3-methyl-butanoyl]amino]propanoylamino]-4-keto-valeric acid Formula: C22H30BrN3O6 MolecularWeight: 512.3941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)CBr)NC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C22H30BrN3O6/c1-13(2)20(26-18(28)10-9-15-7-5-4-6-8-15)22(32)24-14(3)21(31)25-16(11-19(29)30)17(27)12-23/h4-8,13-14,16,20H,9-12H2,1-3H3,(H,24,32)(H,25,31)(H,26,28)(H,29,30)