3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopentylmethyl)-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopentylmethyl)-2-oxidanylidene-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopentylmethyl)-2-oxo-3-pyridyl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-(cyclopentylmethyl)-2-oxo-3-pyridinyl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopentylmethyl)-2-oxopyridin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(cyclopentylmethyl)-2-keto-3-pyridyl]carbamoylamino]propionic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C=CC=C(C2=O)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)CN2C=CC=C(C2=O)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O6/c26-20(27)11-17(15-7-8-18-19(10-15)31-13-30-18)24-22(29)23-16-6-3-9-25(21(16)28)12-14-4-1-2-5-14/h3,6-10,14,17H,1-2,4-5,11-13H2,(H,26,27)(H2,23,24,29)