1-(phenylcarbonyl)-4-[4-[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-(phenylcarbonyl)-4-[4-[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-benzoyl-4-[4-[[2-[2-(3-pyridylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid CAS Name: 1-benzoyl-4-[4-[[1-oxo-2-[2-(3-pyridinylamino)-1,3-benzoxazol-6-yl]ethyl]amino]phenyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-benzoyl-4-[4-[[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-benzoyl-4-[4-[[2-[2-(3-pyridylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid Formula: C32H27N5O5 MolecularWeight: 561.58728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1C(=O)C2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=CN=CC=C6

Isomeric SMILES

C1C(C(CN1C(=O)C2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)NC(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=CN=CC=C6

InChI

InChI=1S/C32H27N5O5/c38-29(16-20-8-13-27-28(15-20)42-32(36-27)35-24-7-4-14-33-17-24)34-23-11-9-21(10-12-23)25-18-37(19-26(25)31(40)41)30(39)22-5-2-1-3-6-22/h1-15,17,25-26H,16,18-19H2,(H,34,38)(H,35,36)(H,40,41)