3-[2-(3-benzamido-2-oxidanylidene-azepan-1-yl)propanoylamino]-5-bromanyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[2-(3-benzamido-2-oxidanylidene-azepan-1-yl)propanoylamino]-5-bromanyl-4-oxidanylidene-pentanoic acid Openeye Name: 3-[2-(3-benzamido-2-oxo-azepan-1-yl)propanoylamino]-5-bromo-4-oxo-pentanoic acid CAS Name: 3-[[2-(3-benzamido-2-oxo-1-azepanyl)-1-oxopropyl]amino]-5-bromo-4-oxopentanoic acid IUPAC Name: 3-[2-(3-benzamido-2-oxoazepan-1-yl)propanoylamino]-5-bromo-4-oxopentanoic acid Traditional Name: 3-[2-(3-benzamido-2-keto-azepan-1-yl)propanoylamino]-5-bromo-4-keto-valeric acid Formula: C21H26BrN3O6 MolecularWeight: 496.35164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C(=O)CBr)N1CCCCC(C1=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C(=O)CBr)N1CCCCC(C1=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26BrN3O6/c1-13(19(29)24-16(11-18(27)28)17(26)12-22)25-10-6-5-9-15(21(25)31)23-20(30)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,23,30)(H,24,29)(H,27,28)