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

Systemtic Name: 8-(cyclohexylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoyloxyamino]octanoic acid Openeye Name: 8-(cyclohexylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 8-(cyclohexylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)ethoxy]amino]octanoic acid IUPAC Name: 8-(cyclohexylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]octanoic acid Traditional Name: 8-(cyclohexylamino)-2-[[2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C25H37N3O6 MolecularWeight: 475.57778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCCCCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

C1CCC(CC1)NCCCCCCC(C(=O)O)NOC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C25H37N3O6/c29-23-15-17-33-22-14-8-7-13-21(22)28(23)18-24(30)34-27-20(25(31)32)12-6-1-2-9-16-26-19-10-4-3-5-11-19/h7-8,13-14,19-20,26-27H,1-6,9-12,15-18H2,(H,31,32)