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

Systemtic Name: 6-(methylamino)-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]hexanoic acid Openeye Name: 6-(methylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid CAS Name: 6-(methylamino)-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]hexanoic acid IUPAC Name: 6-(methylamino)-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]hexanoic acid Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-6-(methylamino)hexanoic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

Isomeric SMILES

CNCCCCC(C(=O)O)NOC(=O)CN1C(=O)CCSC2=CC=CC=C21

InChI

InChI=1S/C18H25N3O5S/c1-19-10-5-4-6-13(18(24)25)20-26-17(23)12-21-14-7-2-3-8-15(14)27-11-9-16(21)22/h2-3,7-8,13,19-20H,4-6,9-12H2,1H3,(H,24,25)