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

Systemtic Name: 1-(2-morpholin-4-ylethanoyl)-4-[4-[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-(2-morpholinoacetyl)-4-[4-[[2-[2-(3-pyridylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[2-(4-morpholinyl)-1-oxoethyl]-4-[4-[[1-oxo-2-[2-(3-pyridinylamino)-1,3-benzoxazol-6-yl]ethyl]amino]phenyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-morpholin-4-ylacetyl)-4-[4-[[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-(2-morpholinoacetyl)-4-[4-[[2-[2-(3-pyridylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid Formula: C31H32N6O6 MolecularWeight: 584.62238

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC(=O)N2CC(C(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

C1COCCN1CC(=O)N2CC(C(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/C31H32N6O6/c38-28(15-20-3-8-26-27(14-20)43-31(35-26)34-23-2-1-9-32-16-23)33-22-6-4-21(5-7-22)24-17-37(18-25(24)30(40)41)29(39)19-36-10-12-42-13-11-36/h1-9,14,16,24-25H,10-13,15,17-19H2,(H,33,38)(H,34,35)(H,40,41)