2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-piperidin-4-ylsulfanyl-propanoic acid

Systemtic Name: 2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-3-piperidin-4-ylsulfanyl-propanoic acid Openeye Name: 2-[1-(2-aminooxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(4-piperidylsulfanyl)propanoic acid CAS Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(4-piperidinylthio)propanoic acid IUPAC Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-piperidin-4-ylsulfanylpropanoic acid Traditional Name: 2-[1-(2-aminooxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-3-(4-piperidylthio)propionic acid Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1C(CSC3CCNCC3)C(=O)O)CC(=O)ON

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1C(CSC3CCNCC3)C(=O)O)CC(=O)ON

InChI

InChI=1S/C20H27N3O5S/c21-28-18(24)11-23-17-4-2-1-3-13(17)5-6-15(19(23)25)16(20(26)27)12-29-14-7-9-22-10-8-14/h1-4,14-16,22H,5-12,21H2,(H,26,27)