2-[2-(4-acetamidophenyl)sulfanylethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-(4-acetamidophenyl)sulfanylethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-[(4-acetamidophenyl)thio]acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-13(25)23-15-6-8-16(9-7-15)29-12-20(26)24-19(21(27)28)10-14-11-22-18-5-3-2-4-17(14)18/h2-9,11,19,22H,10,12H2,1H3,(H,23,25)(H,24,26)(H,27,28)