4-[4-[2-[2-[(2,6-dimethylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-[(5-methyl-2,5-dihydro-1,2-oxazol-3-yl)carbonyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[4-[2-[2-[(2,6-dimethylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-[(5-methyl-2,5-dihydro-1,2-oxazol-3-yl)carbonyl]pyrrolidine-3-carboxylic acid Openeye Name: 4-[4-[[2-[2-(2,6-dimethylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(5-methyl-2,5-dihydroisoxazole-3-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-[4-[[2-[2-(2,6-dimethylanilino)-1,3-benzoxazol-6-yl]-1-oxoethyl]amino]phenyl]-1-[(5-methyl-2,5-dihydroisoxazol-3-yl)-oxomethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-[[2-[2-(2,6-dimethylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(5-methyl-2,5-dihydro-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-[4-[[2-[2-(2,6-dimethylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(5-methyl-3-isoxazoline-3-carbonyl)pyrrolidine-3-carboxylic acid Formula: C33H33N5O6 MolecularWeight: 595.64502

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(NO1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=C(C=CC=C6C)C

Isomeric SMILES

CC1C=C(NO1)C(=O)N2CC(C(C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=C(C=CC=C6C)C

InChI

InChI=1S/C33H33N5O6/c1-18-5-4-6-19(2)30(18)36-33-35-26-12-7-21(14-28(26)43-33)15-29(39)34-23-10-8-22(9-11-23)24-16-38(17-25(24)32(41)42)31(40)27-13-20(3)44-37-27/h4-14,20,24-25,37H,15-17H2,1-3H3,(H,34,39)(H,35,36)(H,41,42)