2-[[(2R)-3-phenyl-2-[2-[1,1,4-tris(oxidanylidene)-2,3-dihydro-1$l^{6},5-benzothiazepin-5-yl]ethanoylamino]propanoyl]amino]ethylazanium chloride

Systemtic Name: 2-[[(2R)-3-phenyl-2-[2-[1,1,4-tris(oxidanylidene)-2,3-dihydro-1$l^{6},5-benzothiazepin-5-yl]ethanoylamino]propanoyl]amino]ethylazanium chloride Openeye Name: 2-[[(2R)-3-phenyl-2-[[2-(1,1,4-trioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-5-yl)acetyl]amino]propanoyl]amino]ethylammonium chloride CAS Name: 2-[[(2R)-1-oxo-2-[[1-oxo-2-(1,1,4-trioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-5-yl)ethyl]amino]-3-phenylpropyl]amino]ethylammonium chloride IUPAC Name: 2-[[(2R)-3-phenyl-2-[[2-(1,1,4-trioxo-2,3-dihydro-1$l^{6},5-benzothiazepin-5-yl)acetyl]amino]propanoyl]amino]ethylazanium chloride Traditional Name: 2-[[(2R)-3-phenyl-2-[[2-(1,1,4-triketo-2,3-dihydro-1$l^{6},5-benzothiazepin-5-yl)acetyl]amino]propanoyl]amino]ethylammonium chloride Formula: C22H27ClN4O5S MolecularWeight: 494.99158

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NCC[NH3+].[Cl-]

Isomeric SMILES

C1CS(=O)(=O)C2=CC=CC=C2N(C1=O)CC(=O)N[C@H](CC3=CC=CC=C3)C(=O)NCC[NH3+].[Cl-]

InChI

InChI=1S/C22H26N4O5S.ClH/c23-11-12-24-22(29)17(14-16-6-2-1-3-7-16)25-20(27)15-26-18-8-4-5-9-19(18)32(30,31)13-10-21(26)28;/h1-9,17H,10-15,23H2,(H,24,29)(H,25,27);1H/t17-;/m1./s1