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

Systemtic Name: 2-[[5-(carboxymethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[5-(carboxymethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[5-(carboxymethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]amino]-4-phenyl-butyric acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC2C(SC3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)NC2C(SC3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O5S/c30-23(31)17-29-21-13-7-8-14-22(21)35-25(19-11-5-2-6-12-19)24(26(29)32)28-20(27(33)34)16-15-18-9-3-1-4-10-18/h1-14,20,24-25,28H,15-17H2,(H,30,31)(H,33,34)