2-[3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]propanoic acid CAS Name: 2-[[1-oxo-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoylamino]propionic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CCC(=O)NC(COCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CCC(=O)NC(COCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c25-20(23-17(22(27)28)15-29-14-16-6-2-1-3-7-16)10-12-24-18-8-4-5-9-19(18)30-13-11-21(24)26/h1-9,17H,10-15H2,(H,23,25)(H,27,28)