3-[5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-4H-1,5-benzothiazepin-2-yl]propanoic acid

Systemtic Name: 3-[5-[4-[(2-phenylphenyl)carbonylamino]phenyl]carbonyl-4H-1,5-benzothiazepin-2-yl]propanoic acid Openeye Name: 3-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-4H-1,5-benzothiazepin-2-yl]propanoic acid CAS Name: 3-[5-[oxo-[4-[[oxo-(2-phenylphenyl)methyl]amino]phenyl]methyl]-4H-1,5-benzothiazepin-2-yl]propanoic acid IUPAC Name: 3-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-4H-1,5-benzothiazepin-2-yl]propanoic acid Traditional Name: 3-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-4H-1,5-benzothiazepin-2-yl]propionic acid Formula: C32H26N2O4S MolecularWeight: 534.62484

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(SC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)CCC(=O)O

Isomeric SMILES

C1C=C(SC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)CCC(=O)O

InChI

InChI=1S/C32H26N2O4S/c35-30(36)19-18-25-20-21-34(28-12-6-7-13-29(28)39-25)32(38)23-14-16-24(17-15-23)33-31(37)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-17,20H,18-19,21H2,(H,33,37)(H,35,36)