8-acetamido-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid

Systemtic Name: 8-acetamido-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid Openeye Name: 8-acetamido-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 8-acetamido-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]octanoic acid IUPAC Name: 8-acetamido-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid Traditional Name: 8-acetamido-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

Isomeric SMILES

CC(=O)NCCCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCOC2=CC=CC=C21

InChI

InChI=1S/C21H29N3O7/c1-15(25)22-12-7-3-2-4-8-16(21(28)29)23-31-20(27)14-24-17-9-5-6-10-18(17)30-13-11-19(24)26/h5-6,9-10,16,23H,2-4,7-8,11-14H2,1H3,(H,22,25)(H,28,29)