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

Systemtic Name: 8-benzamido-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid Openeye Name: 8-benzamido-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 8-benzamido-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]octanoic acid IUPAC Name: 8-benzamido-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid Traditional Name: 8-benzamido-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCCCNC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCCCNC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H31N3O7/c30-23-15-17-35-22-14-8-7-13-21(22)29(23)18-24(31)36-28-20(26(33)34)12-6-1-2-9-16-27-25(32)19-10-4-3-5-11-19/h3-5,7-8,10-11,13-14,20,28H,1-2,6,9,12,15-18H2,(H,27,32)(H,33,34)