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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(3-oxidanylidenebutanoylamino)ethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(3-oxobutanoylamino)acetyl]amino]propanoic acid CAS Name: 2-[[2-(1,3-dioxobutylamino)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(3-oxobutanoylamino)acetyl]amino]propanoic acid Traditional Name: 2-[[2-(acetoacetylamino)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C17H19N3O5 MolecularWeight: 345.34986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-10(21)6-15(22)19-9-16(23)20-14(17(24)25)7-11-8-18-13-5-3-2-4-12(11)13/h2-5,8,14,18H,6-7,9H2,1H3,(H,19,22)(H,20,23)(H,24,25)