3-acetamido-2-phenyl-2-(2-phenylazanyl-1,3-benzoxazol-6-yl)-1-pyridin-4-ylcarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 3-acetamido-2-phenyl-2-(2-phenylazanyl-1,3-benzoxazol-6-yl)-1-pyridin-4-ylcarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-2-phenyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-1-[oxo(pyridin-4-yl)methyl]-2-phenyl-3-pyrrolidinecarboxylic acid IUPAC Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-2-phenyl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 3-acetamido-2-(2-anilino-1,3-benzoxazol-6-yl)-1-isonicotinoyl-2-phenyl-pyrrolidine-3-carboxylic acid Formula: C32H27N5O5 MolecularWeight: 561.58728

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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=NC=C6)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=NC=C6)C(=O)O

InChI

InChI=1S/C32H27N5O5/c1-21(38)36-31(29(40)41)16-19-37(28(39)22-14-17-33-18-15-22)32(31,23-8-4-2-5-9-23)24-12-13-26-27(20-24)42-30(35-26)34-25-10-6-3-7-11-25/h2-15,17-18,20H,16,19H2,1H3,(H,34,35)(H,36,38)(H,40,41)