4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoylamino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-4-oxo-3-[[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]amino]butanoic acid CAS Name: 4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-[[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]amino]butanoic acid IUPAC Name: 4-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-[[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]amino]butanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-4-keto-3-[[2-[4-(4-pyridyl)piperazino]acetyl]amino]butyric acid Formula: C24H29N5O6 MolecularWeight: 483.51696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C24H29N5O6/c30-21(16-28-10-12-29(13-11-28)18-6-8-25-9-7-18)26-19(15-22(31)32)23(33)27-20(24(34)35)14-17-4-2-1-3-5-17/h1-9,19-20H,10-16H2,(H,26,30)(H,27,33)(H,31,32)(H,34,35)