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

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]-8-(propan-2-ylamino)octanoic acid Openeye Name: 8-(isopropylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]-8-(propan-2-ylamino)octanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]-8-(propan-2-ylamino)octanoic acid Traditional Name: 8-(isopropylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C22H33N3O6 MolecularWeight: 435.51392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O6/c1-16(2)23-13-8-4-3-5-9-17(22(28)29)24-31-21(27)15-25-18-10-6-7-11-19(18)30-14-12-20(25)26/h6-7,10-11,16-17,23-24H,3-5,8-9,12-15H2,1-2H3,(H,28,29)