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

Systemtic Name: 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-2-yl]-3-(2-piperidin-4-ylethylsulfanyl)propanoic acid Openeye Name: 2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-2-yl]-3-[2-(4-piperidyl)ethylsulfanyl]propanoic acid CAS Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-2-yl]-3-[2-(4-piperidinyl)ethylthio]propanoic acid IUPAC Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzoxazepin-2-yl]-3-(2-piperidin-4-ylethylsulfanyl)propanoic acid Traditional Name: 2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzoxazepin-2-yl]-3-[2-(4-piperidyl)ethylthio]propionic acid Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCSCC(C2CC(=O)N(C3=CC=CC=C3O2)CC(=O)ON)C(=O)O

Isomeric SMILES

C1CNCCC1CCSCC(C2CC(=O)N(C3=CC=CC=C3O2)CC(=O)ON)C(=O)O

InChI

InChI=1S/C21H29N3O6S/c22-30-20(26)12-24-16-3-1-2-4-17(16)29-18(11-19(24)25)15(21(27)28)13-31-10-7-14-5-8-23-9-6-14/h1-4,14-15,18,23H,5-13,22H2,(H,27,28)