3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[1-[3-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]phenyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[1-[3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[5-keto-1-[3-(piperonylcarbamoylamino)phenyl]pyrrolidine-3-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H27N5O7 MolecularWeight: 545.54328

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)NC(CC(=O)O)C5=CN=CC=C5

Isomeric SMILES

C1C(CN(C1=O)C2=CC(=CC=C2)NC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)NC(CC(=O)O)C5=CN=CC=C5

InChI

InChI=1S/C28H27N5O7/c34-25-10-19(27(37)32-22(12-26(35)36)18-3-2-8-29-14-18)15-33(25)21-5-1-4-20(11-21)31-28(38)30-13-17-6-7-23-24(9-17)40-16-39-23/h1-9,11,14,19,22H,10,12-13,15-16H2,(H,32,37)(H,35,36)(H2,30,31,38)