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

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 3-(1H-indol-3-yl)-2-oxidanylidene-propanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 3-(1H-indol-3-yl)-2-oxo-propanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 3-(1H-indol-3-yl)-2-oxopropanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 3-(1H-indol-3-yl)-2-oxopropanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 3-(1H-indol-3-yl)-2-keto-propionic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O

InChI

InChI=1S/C11H12N2O2.C11H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,9,13H,5,12H2,(H,14,15);1-4,6,12H,5H2,(H,14,15)