1-[3-(2-benzamido-3-phenyl-propanoyl)sulfanylpropanoyl]-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-[3-(2-benzamido-3-phenyl-propanoyl)sulfanylpropanoyl]-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-[3-(2-benzamido-3-phenyl-propanoyl)sulfanylpropanoyl]-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[3-[(2-benzamido-1-oxo-3-phenylpropyl)thio]-1-oxopropyl]-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-[3-(2-benzamido-3-phenylpropanoyl)sulfanylpropanoyl]-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[3-[(2-benzamido-3-phenyl-propanoyl)thio]propanoyl]-3-pyrroline-2-carboxylic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(N1C(=O)CCSC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C=CC(N1C(=O)CCSC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H24N2O5S/c27-21(26-14-7-12-20(26)23(29)30)13-15-32-24(31)19(16-17-8-3-1-4-9-17)25-22(28)18-10-5-2-6-11-18/h1-12,19-20H,13-16H2,(H,25,28)(H,29,30)