6-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-piperidin-4-yl-hexanoic acid

Systemtic Name: 6-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-piperidin-4-yl-hexanoic acid Openeye Name: 6-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-(4-piperidyl)hexanoic acid CAS Name: 6-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-(4-piperidinyl)hexanoic acid IUPAC Name: 6-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-piperidin-4-ylhexanoic acid Traditional Name: 6-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]-2-(4-piperidyl)hexanoic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(CCCCC2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

Isomeric SMILES

C1CNCCC1C(CCCCC2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

InChI

InChI=1S/C22H31N3O5S/c23-30-21(27)14-25-18-7-3-4-8-19(18)31-16(13-20(25)26)5-1-2-6-17(22(28)29)15-9-11-24-12-10-15/h3-4,7-8,15-17,24H,1-2,5-6,9-14,23H2,(H,28,29)