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

Systemtic Name: 10-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]decanoic acid Openeye Name: 10-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]decanoic acid CAS Name: 10-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]decanoic acid IUPAC Name: 10-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]decanoic acid Traditional Name: 10-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]capric acid Formula: C21H31N3O5S MolecularWeight: 437.55294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c22-13-8-4-2-1-3-5-9-16(21(27)28)23-29-20(26)15-24-17-10-6-7-11-18(17)30-14-12-19(24)25/h6-7,10-11,16,23H,1-5,8-9,12-15,22H2,(H,27,28)