2-[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]pentanedioic acid CAS Name: 2-[[1-oxo-2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)ethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-(2,3,4,5-tetrahydro-1,5-benzothiazepin-2-yloxy)acetyl]amino]glutaric acid Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=CC=CC=C2SC1OCC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CNC2=CC=CC=C2SC1OCC(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O6S/c19-13(18-11(16(22)23)5-6-14(20)21)9-24-15-7-8-17-10-3-1-2-4-12(10)25-15/h1-4,11,15,17H,5-9H2,(H,18,19)(H,20,21)(H,22,23)