(2R)-3-(1H-indol-3-yl)-2-(3-methylbutanoylamino)propanoic acid

Systemtic Name: (2R)-3-(1H-indol-3-yl)-2-(3-methylbutanoylamino)propanoic acid Openeye Name: (2R)-3-(1H-indol-3-yl)-2-(3-methylbutanoylamino)propanoic acid CAS Name: (2R)-3-(1H-indol-3-yl)-2-[(3-methyl-1-oxobutyl)amino]propanoic acid IUPAC Name: (2R)-3-(1H-indol-3-yl)-2-(3-methylbutanoylamino)propanoic acid Traditional Name: (2R)-3-(1H-indol-3-yl)-2-(isovalerylamino)propionic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-10(2)7-15(19)18-14(16(20)21)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)/t14-/m1/s1