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

Systemtic Name: 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-piperidin-4-yloxy-propanoic acid Openeye Name: 2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(4-piperidyloxy)propanoic acid CAS Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(4-piperidinyloxy)propanoic acid IUPAC Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-piperidin-4-yloxypropanoic acid Traditional Name: 2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(4-piperidyloxy)propionic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OCC(C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

Isomeric SMILES

C1CNCCC1OCC(C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

InChI

InChI=1S/C19H25N3O6S/c20-28-18(24)10-22-14-3-1-2-4-15(14)29-16(9-17(22)23)13(19(25)26)11-27-12-5-7-21-8-6-12/h1-4,12-13,16,21H,5-11,20H2,(H,25,26)