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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CNCCC1CCCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C22H31N3O5S/c26-20-11-14-31-19-8-4-3-7-18(19)25(20)15-21(27)30-24-17(22(28)29)6-2-1-5-16-9-12-23-13-10-16/h3-4,7-8,16-17,23-24H,1-2,5-6,9-15H2,(H,28,29)