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

Systemtic Name: 6-benzamido-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-benzamido-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-benzamido-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-benzamido-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 6-benzamido-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCNC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCCCNC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H27N3O6S/c28-21-13-15-34-20-12-5-4-11-19(20)27(21)16-22(29)33-26-18(24(31)32)10-6-7-14-25-23(30)17-8-2-1-3-9-17/h1-5,8-9,11-12,18,26H,6-7,10,13-16H2,(H,25,30)(H,31,32)