5-(carboxymethyl)-4-oxidanylidene-1-(5-piperidin-4-ylpentylamino)-2,3-dihydro-1$l^{4},5-benzothiazepine-1-carboxylic acid

Systemtic Name: 5-(carboxymethyl)-4-oxidanylidene-1-(5-piperidin-4-ylpentylamino)-2,3-dihydro-1$l^{4},5-benzothiazepine-1-carboxylic acid Openeye Name: 5-(carboxymethyl)-4-oxo-1-[5-(4-piperidyl)pentylamino]-2,3-dihydro-1$l^{4},5-benzothiazepine-1-carboxylic acid CAS Name: 5-(carboxymethyl)-4-oxo-1-[5-(4-piperidinyl)pentylamino]-2,3-dihydro-1$l^{4},5-benzothiazepine-1-carboxylic acid IUPAC Name: 5-(carboxymethyl)-4-oxo-1-(5-piperidin-4-ylpentylamino)-2,3-dihydro-1$l^{4},5-benzothiazepine-1-carboxylic acid Traditional Name: 5-(carboxymethyl)-4-keto-1-[5-(4-piperidyl)pentylamino]-2,3-dihydro-1$l^{4},5-benzothiazepine-1-carboxylic acid Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCCNS2(CCC(=O)N(C3=CC=CC=C32)CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1CCCCCNS2(CCC(=O)N(C3=CC=CC=C32)CC(=O)O)C(=O)O

InChI

InChI=1S/C22H33N3O5S/c26-20-11-15-31(22(29)30,19-8-4-3-7-18(19)25(20)16-21(27)28)24-12-5-1-2-6-17-9-13-23-14-10-17/h3-4,7-8,17,23-24H,1-2,5-6,9-16H2,(H,27,28)(H,29,30)