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

Systemtic Name: 4-cyclohexyl-2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]butanoic acid Openeye Name: 4-cyclohexyl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butanoic acid CAS Name: 4-cyclohexyl-2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]butanoic acid IUPAC Name: 4-cyclohexyl-2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butanoic acid Traditional Name: 4-cyclohexyl-2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]butyric acid Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

Isomeric SMILES

C1CCC(CC1)CCC(C(=O)O)NOC(=O)CN2C(=O)CCSC3=CC=CC=C32

InChI

InChI=1S/C21H28N2O5S/c24-19-12-13-29-18-9-5-4-8-17(18)23(19)14-20(25)28-22-16(21(26)27)11-10-15-6-2-1-3-7-15/h4-5,8-9,15-16,22H,1-3,6-7,10-14H2,(H,26,27)