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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)ON)C(CCCCCCN)C(=O)O

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)ON)C(CCCCCCN)C(=O)O

InChI

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