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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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