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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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