3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]-2-(2-methylpropoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxidanylidene-chromen-6-yl]-2-(2-methylpropoxycarbonylamino)propanoic acid Openeye Name: 3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-chromen-6-yl]-2-(isobutoxycarbonylamino)propanoic acid CAS Name: 3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxo-1-benzopyran-6-yl]-2-[[2-methylpropoxy(oxo)methyl]amino]propanoic acid IUPAC Name: 3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-oxochromen-6-yl]-2-(2-methylpropoxycarbonylamino)propanoic acid Traditional Name: 3-[2-[3-(1H-imidazol-2-ylamino)propyl]-4-keto-chromen-6-yl]-2-(isobutoxycarbonylamino)propionic acid Formula: C23H28N4O6 MolecularWeight: 456.49162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=NC=CN3)C(=O)O

Isomeric SMILES

CC(C)COC(=O)NC(CC1=CC2=C(C=C1)OC(=CC2=O)CCCNC3=NC=CN3)C(=O)O

InChI

InChI=1S/C23H28N4O6/c1-14(2)13-32-23(31)27-18(21(29)30)11-15-5-6-20-17(10-15)19(28)12-16(33-20)4-3-7-24-22-25-8-9-26-22/h5-6,8-10,12,14,18H,3-4,7,11,13H2,1-2H3,(H,27,31)(H,29,30)(H2,24,25,26)