2-[[(E)-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]but-2-enoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]but-2-enoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-but-2-enoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1,4-dioxobut-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-but-2-enoyl]amino]-3-phenyl-propionic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C=CC(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)/C=C/C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H22N2O6/c25-19(23-17(21(27)28)13-15-7-3-1-4-8-15)11-12-20(26)24-18(22(29)30)14-16-9-5-2-6-10-16/h1-12,17-18H,13-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/b12-11+