4-[4-[methyl-[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]ethanoyl]amino]phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[4-[methyl-[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]ethanoyl]amino]phenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-[4-[methyl-[2-[2-(3-pyridylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-[4-[methyl-[1-oxo-2-[2-(3-pyridinylamino)-1,3-benzoxazol-6-yl]ethyl]amino]phenyl]-1-[oxo(thiophen-2-yl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-[methyl-[2-[2-(pyridin-3-ylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-[4-[methyl-[2-[2-(3-pyridylamino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(2-thenoyl)pyrrolidine-3-carboxylic acid Formula: C31H27N5O5S MolecularWeight: 581.64158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C2CN(CC2C(=O)O)C(=O)C3=CC=CS3)C(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=CN=CC=C6

Isomeric SMILES

CN(C1=CC=C(C=C1)C2CN(CC2C(=O)O)C(=O)C3=CC=CS3)C(=O)CC4=CC5=C(C=C4)N=C(O5)NC6=CN=CC=C6

InChI

InChI=1S/C31H27N5O5S/c1-35(28(37)15-19-6-11-25-26(14-19)41-31(34-25)33-21-4-2-12-32-16-21)22-9-7-20(8-10-22)23-17-36(18-24(23)30(39)40)29(38)27-5-3-13-42-27/h2-14,16,23-24H,15,17-18H2,1H3,(H,33,34)(H,39,40)