2-[[2-azanyl-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-azanyl-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]ethanoic acid Openeye Name: 2-[[2-amino-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]acetic acid CAS Name: 2-[[2-amino-2-(1H-indol-3-ylmethyl)-1-oxobut-3-enyl]amino]acetic acid IUPAC Name: 2-[[2-amino-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]acetic acid Traditional Name: 2-[[2-amino-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]acetic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c1-2-15(16,14(21)18-9-13(19)20)7-10-8-17-12-6-4-3-5-11(10)12/h2-6,8,17H,1,7,9,16H2,(H,18,21)(H,19,20)