11-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]undecanoic acid

Systemtic Name: 11-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]undecanoic acid Openeye Name: 11-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]undecanoic acid CAS Name: 11-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]undecanoic acid IUPAC Name: 11-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]undecanoic acid Traditional Name: 11-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]undecanoic acid Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCCCCCCN)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCCCCCCN)C(=O)O

InChI

InChI=1S/C22H33N3O5S/c23-14-9-5-3-1-2-4-6-10-17(22(28)29)24-30-21(27)16-25-18-11-7-8-12-19(18)31-15-13-20(25)26/h7-8,11-12,17,24H,1-6,9-10,13-16,23H2,(H,28,29)