11-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid

Systemtic Name: 11-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid Openeye Name: 11-amino-2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid CAS Name: 11-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid IUPAC Name: 11-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid Traditional Name: 11-amino-2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]undecanoic acid Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)ON)C(CCCCCCCCCN)C(=O)O

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)ON)C(CCCCCCCCCN)C(=O)O

InChI

InChI=1S/C22H33N3O5S/c23-13-9-5-3-1-2-4-6-10-16(22(28)29)19-14-20(26)25(15-21(27)30-24)17-11-7-8-12-18(17)31-19/h7-8,11-12,16,19H,1-6,9-10,13-15,23-24H2,(H,28,29)