(3S)-4-azido-3-[6-(2,3-dihydro-1,4-benzodioxin-5-ylcarbonylamino)hexanoylamino]butanoic acid

Systemtic Name: (3S)-4-azido-3-[6-(2,3-dihydro-1,4-benzodioxin-5-ylcarbonylamino)hexanoylamino]butanoic acid Openeye Name: (3S)-4-azido-3-[6-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)hexanoylamino]butanoic acid CAS Name: (3S)-4-azido-3-[[6-[[2,3-dihydro-1,4-benzodioxin-5-yl(oxo)methyl]amino]-1-oxohexyl]amino]butanoic acid IUPAC Name: (3S)-4-azido-3-[6-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)hexanoylamino]butanoic acid Traditional Name: (3S)-4-azido-3-[6-(2,3-dihydro-1,4-benzodioxin-5-carbonylamino)hexanoylamino]butyric acid Formula: C19H25N5O6 MolecularWeight: 419.4317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)C(=O)NCCCCCC(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1COC2=C(C=CC=C2O1)C(=O)NCCCCCC(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C19H25N5O6/c20-24-22-12-13(11-17(26)27)23-16(25)7-2-1-3-8-21-19(28)14-5-4-6-15-18(14)30-10-9-29-15/h4-6,13H,1-3,7-12H2,(H,21,28)(H,23,25)(H,26,27)/t13-/m0/s1