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

Systemtic Name: 4-[[5-(carboxymethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoic acid Openeye Name: 4-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butanoic acid CAS Name: 4-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenylbutanoic acid IUPAC Name: 4-[[5-(carboxymethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenylbutanoic acid Traditional Name: 4-[[5-(carboxymethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-2-phenyl-butyric acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)NCCC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)NCCC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5S/c24-19-12-18(22-11-10-15(21(27)28)14-6-2-1-3-7-14)29-17-9-5-4-8-16(17)23(19)13-20(25)26/h1-9,15,18,22H,10-13H2,(H,25,26)(H,27,28)