2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)propanoyl]amino]-4-methyl-valeric acid Formula: C23H26N2O6 MolecularWeight: 426.46234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O6/c1-14(2)10-18(23(28)29)25-22(27)17(24-21(26)16-6-4-3-5-7-16)11-15-8-9-19-20(12-15)31-13-30-19/h3-9,12,14,17-18H,10-11,13H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)