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

Systemtic Name: 4-azanyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]butanoic acid Openeye Name: 4-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butanoic acid CAS Name: 4-amino-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]butanoic acid IUPAC Name: 4-amino-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butanoic acid Traditional Name: 4-amino-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butyric acid Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c16-7-5-10(15(21)22)17-23-14(20)9-18-11-3-1-2-4-12(11)24-8-6-13(18)19/h1-4,10,17H,5-9,16H2,(H,21,22)