2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-8-piperidin-4-yl-octanoic acid

Systemtic Name: 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-8-piperidin-4-yl-octanoic acid Openeye Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-8-(4-piperidyl)octanoic acid CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-8-(4-piperidinyl)octanoic acid IUPAC Name: 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-8-piperidin-4-yloctanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-8-(4-piperidyl)caprylic acid Formula: C24H35N3O5S MolecularWeight: 477.6168

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CNCCC1CCCCCCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C24H35N3O5S/c28-22-13-16-33-21-10-6-5-9-20(21)27(22)17-23(29)32-26-19(24(30)31)8-4-2-1-3-7-18-11-14-25-15-12-18/h5-6,9-10,18-19,25-26H,1-4,7-8,11-17H2,(H,30,31)