2-azanyl-3-(1H-indol-3-yl)propanoic acid; phosphonato phosphate

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; phosphonato phosphate Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; phosphonato phosphate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; phosphonato phosphate IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; phosphonato phosphate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; phosphonato phosphate Formula: C11H12N2O9P2-4 MolecularWeight: 378.168502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C11H12N2O2.H4O7P2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-8(2,3)7-9(4,5)6/h1-4,6,9,13H,5,12H2,(H,14,15);(H2,1,2,3)(H2,4,5,6)/p-4