3-(1,3-benzodioxol-5-yl)-3-[[2-oxidanylidene-1-(phenylmethyl)-4-propyl-pyridin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-oxidanylidene-1-(phenylmethyl)-4-propyl-pyridin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzyl-2-oxo-4-propyl-3-pyridyl)carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[2-oxo-1-(phenylmethyl)-4-propyl-3-pyridinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzyl-2-oxo-4-propylpyridin-3-yl)carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[(1-benzyl-2-keto-4-propyl-3-pyridyl)carbamoylamino]propionic acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(C=C1)CC2=CC=CC=C2)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC1=C(C(=O)N(C=C1)CC2=CC=CC=C2)NC(=O)NC(CC(=O)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H27N3O6/c1-2-6-18-11-12-29(15-17-7-4-3-5-8-17)25(32)24(18)28-26(33)27-20(14-23(30)31)19-9-10-21-22(13-19)35-16-34-21/h3-5,7-13,20H,2,6,14-16H2,1H3,(H,30,31)(H2,27,28,33)