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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzyl-2-oxo-3-pyridyl)carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[2-oxo-1-(phenylmethyl)-3-pyridinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzyl-2-oxopyridin-3-yl)carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzyl-2-keto-3-pyridyl)carbamoylamino]propionic acid Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC3=CC=CN(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NC(=O)NC3=CC=CN(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O6/c27-21(28)12-18(16-8-9-19-20(11-16)32-14-31-19)25-23(30)24-17-7-4-10-26(22(17)29)13-15-5-2-1-3-6-15/h1-11,18H,12-14H2,(H,27,28)(H2,24,25,30)