4-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoic acid

Systemtic Name: 4-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoic acid Openeye Name: 4-[[5-(2-methoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoic acid CAS Name: 4-[[5-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenylbutanoic acid IUPAC Name: 4-[[5-(2-methoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenylbutanoic acid Traditional Name: 4-[[4-keto-5-(2-keto-2-methoxy-ethyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butyric acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NCCC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NCCC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-29-21(26)14-24-17-9-5-6-10-18(17)30-19(13-20(24)25)23-12-11-16(22(27)28)15-7-3-2-4-8-15/h2-10,16,19,23H,11-14H2,1H3,(H,27,28)