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

Systemtic Name: 8-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]octanoic acid Openeye Name: 8-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]octanoic acid CAS Name: 8-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]octanoic acid IUPAC Name: 8-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]octanoic acid Traditional Name: 8-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]caprylic acid Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCCCN)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCCCN)C(=O)O

InChI

InChI=1S/C19H27N3O5S/c20-11-6-2-1-3-7-14(19(25)26)21-27-18(24)13-22-15-8-4-5-9-16(15)28-12-10-17(22)23/h4-5,8-9,14,21H,1-3,6-7,10-13,20H2,(H,25,26)