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

Systemtic Name: 9-azanyl-2-[5-(2-azanyloxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoic acid Openeye Name: 9-amino-2-[5-(2-aminooxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoic acid CAS Name: 9-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoic acid IUPAC Name: 9-amino-2-[5-(2-aminooxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]nonanoic acid Traditional Name: 9-amino-2-[5-(2-aminooxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]pelargonic acid Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c21-11-7-3-1-2-4-8-14(20(26)27)17-12-18(24)23(13-19(25)28-22)15-9-5-6-10-16(15)29-17/h5-6,9-10,14,17H,1-4,7-8,11-13,21-22H2,(H,26,27)