3-[[2,4-bis(carboxymethyl)-1H-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2,4-bis(carboxymethyl)-1H-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2,4-bis(carboxymethyl)-1H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2,4-bis(carboxymethyl)-1H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2,4-bis(carboxymethyl)-1H-benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2,4-bis(carboxymethyl)-1H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C15H15N3O7 MolecularWeight: 349.2955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1C(=O)NCCC(=O)O)CC(=O)O)N=C(N2)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1C(=O)NCCC(=O)O)CC(=O)O)N=C(N2)CC(=O)O

InChI

InChI=1S/C15H15N3O7/c19-11(20)3-4-16-15(25)7-1-2-9-14(8(7)5-12(21)22)18-10(17-9)6-13(23)24/h1-2H,3-6H2,(H,16,25)(H,17,18)(H,19,20)(H,21,22)(H,23,24)