2-[2,3-bis(oxidanyl)propylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)propylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(2,3-dihydroxypropylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-(2,3-dihydroxypropylamino)-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(2,3-dihydroxypropylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(glycerylamino)-3-(1H-indol-3-yl)propionic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NCC(CO)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NCC(CO)O

InChI

InChI=1S/C14H18N2O4/c17-8-10(18)7-16-13(14(19)20)5-9-6-15-12-4-2-1-3-11(9)12/h1-4,6,10,13,15-18H,5,7-8H2,(H,19,20)