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

Systemtic Name: 3-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(2-piperidin-4-ylethylsulfanyl)propanoic acid Openeye Name: 3-[1-(2-aminooxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-[2-(4-piperidyl)ethylsulfanyl]propanoic acid CAS Name: 3-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-[2-(4-piperidinyl)ethylthio]propanoic acid IUPAC Name: 3-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-2-(2-piperidin-4-ylethylsulfanyl)propanoic acid Traditional Name: 3-[1-(2-aminooxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-2-[2-(4-piperidyl)ethylthio]propionic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1CC(C(=O)O)SCCC3CCNCC3)CC(=O)ON

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1CC(C(=O)O)SCCC3CCNCC3)CC(=O)ON

InChI

InChI=1S/C22H31N3O5S/c23-30-20(26)14-25-18-4-2-1-3-16(18)5-6-17(21(25)27)13-19(22(28)29)31-12-9-15-7-10-24-11-8-15/h1-4,15,17,19,24H,5-14,23H2,(H,28,29)