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

Systemtic Name: 2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(piperidin-4-ylmethoxy)propanoic acid Openeye Name: 2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(4-piperidylmethoxy)propanoic acid CAS Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(4-piperidinylmethoxy)propanoic acid IUPAC Name: 2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(piperidin-4-ylmethoxy)propanoic acid Traditional Name: 2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]-3-(4-piperidylmethoxy)propionic acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COCC(C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

Isomeric SMILES

C1CNCCC1COCC(C2CC(=O)N(C3=CC=CC=C3S2)CC(=O)ON)C(=O)O

InChI

InChI=1S/C20H27N3O6S/c21-29-19(25)10-23-15-3-1-2-4-16(15)30-17(9-18(23)24)14(20(26)27)12-28-11-13-5-7-22-8-6-13/h1-4,13-14,17,22H,5-12,21H2,(H,26,27)