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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(dipropylamino)-1-oxidanylidene-hexan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[1-(dipropylcarbamoyl)pentylcarbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[[[1-(dipropylamino)-1-oxohexan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-(dipropylamino)-1-oxohexan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[1-(dipropylcarbamoyl)pentylcarbamoylamino]propionic acid Formula: C23H35N3O6 MolecularWeight: 449.5405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N(CCC)CCC)NC(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCC(C(=O)N(CCC)CCC)NC(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C23H35N3O6/c1-4-7-8-17(22(29)26(11-5-2)12-6-3)24-23(30)25-18(14-21(27)28)16-9-10-19-20(13-16)32-15-31-19/h9-10,13,17-18H,4-8,11-12,14-15H2,1-3H3,(H,27,28)(H2,24,25,30)