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

Systemtic Name: 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(3-piperidin-4-ylpropoxy)propanoic acid Openeye Name: 2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-[3-(4-piperidyl)propoxy]propanoic acid CAS Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-[3-(4-piperidinyl)propoxy]propanoic acid IUPAC Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(3-piperidin-4-ylpropoxy)propanoic acid Traditional Name: 2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-[3-(4-piperidyl)propoxy]propionic acid Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCOCC(C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

Isomeric SMILES

C1CNCCC1CCCOCC(C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

InChI

InChI=1S/C22H31N3O6S/c23-31-21(27)13-25-17-5-1-2-6-18(17)32-19(12-20(25)26)16(22(28)29)14-30-11-3-4-15-7-9-24-10-8-15/h1-2,5-6,15-16,19,24H,3-4,7-14,23H2,(H,28,29)