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

Systemtic Name: 7-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]heptanoic acid Openeye Name: 7-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]heptanoic acid CAS Name: 7-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]heptanoic acid IUPAC Name: 7-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]heptanoic acid Traditional Name: 7-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]enanthic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c19-10-5-1-2-6-13(18(24)25)20-26-17(23)12-21-14-7-3-4-8-15(14)27-11-9-16(21)22/h3-4,7-8,13,20H,1-2,5-6,9-12,19H2,(H,24,25)