2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-phenylethanoic acid; 2-(pyridin-2-ylamino)propanoic acid

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-phenylethanoic acid; 2-(pyridin-2-ylamino)propanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-phenylacetic acid; 2-(2-pyridylamino)propanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-phenylacetic acid; 2-(2-pyridinylamino)propanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-phenylacetic acid; 2-(pyridin-2-ylamino)propanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-phenylacetic acid; 2-(2-pyridylamino)propionic acid Formula: C27H30N4O6 MolecularWeight: 506.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=CC=N1.C1=CC=C(C=C1)CC(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(C(=O)O)NC1=CC=CC=N1.C1=CC=C(C=C1)CC(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C8H10N2O2.C8H8O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-6(8(11)12)10-7-4-2-3-5-9-7;9-8(10)6-7-4-2-1-3-5-7/h1-4,6,9,13H,5,12H2,(H,14,15);2-6H,1H3,(H,9,10)(H,11,12);1-5H,6H2,(H,9,10)