2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-6-piperidin-1-yl-hexanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-6-piperidin-1-yl-hexanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-6-(1-piperidyl)hexanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-6-(1-piperidinyl)hexanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-6-piperidin-1-ylhexanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-6-piperidino-hexanoic acid Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CCN(CC1)CCCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C22H31N3O5S/c26-20-11-15-31-19-10-3-2-9-18(19)25(20)16-21(27)30-23-17(22(28)29)8-4-7-14-24-12-5-1-6-13-24/h2-3,9-10,17,23H,1,4-8,11-16H2,(H,28,29)