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

Systemtic Name: 2-[1-(2-azanyloxy-2-oxidanylidene-ethyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(2-piperidin-4-ylethylsulfanyl)butanoic acid Openeye Name: 2-[1-(2-aminooxy-2-oxo-ethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[2-(4-piperidyl)ethylsulfanyl]butanoic acid CAS Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[2-(4-piperidinyl)ethylthio]butanoic acid IUPAC Name: 2-[1-(2-aminooxy-2-oxoethyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-(2-piperidin-4-ylethylsulfanyl)butanoic acid Traditional Name: 2-[1-(2-aminooxy-2-keto-ethyl)-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[2-(4-piperidyl)ethylthio]butyric acid Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=O)C1C(CCSCCC3CCNCC3)C(=O)O)CC(=O)ON

Isomeric SMILES

C1CC2=CC=CC=C2N(C(=O)C1C(CCSCCC3CCNCC3)C(=O)O)CC(=O)ON

InChI

InChI=1S/C23H33N3O5S/c24-31-21(27)15-26-20-4-2-1-3-17(20)5-6-18(22(26)28)19(23(29)30)10-14-32-13-9-16-7-11-25-12-8-16/h1-4,16,18-19,25H,5-15,24H2,(H,29,30)