2-[[4-[(2S)-3-oxidanyl-3-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propyl]phenyl]amino]benzoate

Systemtic Name: 2-[[4-[(2S)-3-oxidanyl-3-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propyl]phenyl]amino]benzoate Openeye Name: 2-[4-[(2S)-2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-3-hydroxy-3-oxo-propyl]anilino]benzoate CAS Name: 2-[4-[(2S)-3-hydroxy-2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]anilino]benzoate IUPAC Name: 2-[4-[(2S)-3-hydroxy-2-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-3-oxopropyl]anilino]benzoate Traditional Name: 2-[4-[(2S)-2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-3-hydroxy-3-keto-propyl]anilino]benzoate Formula: C25H23N2O6- MolecularWeight: 447.45992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(CC2=CC=C(C=C2)NC3=CC=CC=C3C(=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N[C@@H](CC2=CC=C(C=C2)NC3=CC=CC=C3C(=O)[O-])C(=O)O

InChI

InChI=1S/C25H24N2O6/c28-23(29)19-8-4-5-9-20(19)26-18-12-10-17(11-13-18)15-22(25(32)33)27-21(24(30)31)14-16-6-2-1-3-7-16/h1-13,21-22,26-27H,14-15H2,(H,28,29)(H,30,31)(H,32,33)/p-1/t21?,22-/m0/s1