3-acetamido-2-phenyl-2-(2-phenylazanyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 3-acetamido-2-phenyl-2-(2-phenylazanyl-1,3-benzoxazol-6-yl)-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-2-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-1-[oxo(thiophen-2-yl)methyl]-2-phenyl-3-pyrrolidinecarboxylic acid IUPAC Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-2-phenyl-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-2-phenyl-1-(2-thenoyl)pyrrolidine-3-carboxylic acid Formula: C31H26N4O5S MolecularWeight: 566.62694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(CCN(C1(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(O4)NC5=CC=CC=C5)C(=O)C6=CC=CS6)C(=O)O

Isomeric SMILES

CC(=O)NC1(CCN(C1(C2=CC=CC=C2)C3=CC4=C(C=C3)N=C(O4)NC5=CC=CC=C5)C(=O)C6=CC=CS6)C(=O)O

InChI

InChI=1S/C31H26N4O5S/c1-20(36)34-30(28(38)39)16-17-35(27(37)26-13-8-18-41-26)31(30,21-9-4-2-5-10-21)22-14-15-24-25(19-22)40-29(33-24)32-23-11-6-3-7-12-23/h2-15,18-19H,16-17H2,1H3,(H,32,33)(H,34,36)(H,38,39)