2-[2-(1H-indol-3-yl)ethanoylamino]-3-methylsulfonyl-propanoic acid

Systemtic Name: 2-[2-(1H-indol-3-yl)ethanoylamino]-3-methylsulfonyl-propanoic acid Openeye Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylsulfonyl-propanoic acid CAS Name: 2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-methylsulfonylpropanoic acid IUPAC Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylsulfonylpropanoic acid Traditional Name: 2-[[2-(1H-indol-3-yl)acetyl]amino]-3-mesyl-propionic acid Formula: C14H16N2O5S MolecularWeight: 324.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O5S/c1-22(20,21)8-12(14(18)19)16-13(17)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6,8H2,1H3,(H,16,17)(H,18,19)