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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCOCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CNCCC1CCOCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

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