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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CN(C(C1C(=O)O)C2=CC=CC=C2)C(=O)C3=CC=CS3)C(=O)C(C4=CC5=C(C=C4)N=CO5)NC6=CN=CC=C6

Isomeric SMILES

CN(C1CN(C(C1C(=O)O)C2=CC=CC=C2)C(=O)C3=CC=CS3)C(=O)C(C4=CC5=C(C=C4)N=CO5)NC6=CN=CC=C6

InChI

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