2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid citrate CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid citrate Formula: C17H17N2O9-3 MolecularWeight: 393.32488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2.C6H8O7/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-4,6,9,13H,5,12H2,(H,14,15);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3