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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCOCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CNCCC1CCCOCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C22H31N3O6S/c26-20-9-13-32-19-6-2-1-5-18(19)25(20)14-21(27)31-24-17(22(28)29)15-30-12-3-4-16-7-10-23-11-8-16/h1-2,5-6,16-17,23-24H,3-4,7-15H2,(H,28,29)