2-(4-azanylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid

Systemtic Name: 2-(4-azanylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid Openeye Name: 2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid CAS Name: 2-[(4-amino-1-oxobutyl)amino]-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid IUPAC Name: 2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid; sulfuric acid Traditional Name: 2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propionic acid; sulfuric acid Formula: C10H18N4O7S MolecularWeight: 338.33752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN.OS(=O)(=O)O

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)NC(=O)CCCN.OS(=O)(=O)O

InChI

InChI=1S/C10H16N4O3.H2O4S/c11-3-1-2-9(15)14-8(10(16)17)4-7-5-12-6-13-7;1-5(2,3)4/h5-6,8H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17);(H2,1,2,3,4)