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

Systemtic Name: 2-[[2-acetamido-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]ethanoic acid Openeye Name: 2-[[2-acetamido-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]acetic acid CAS Name: 2-[[2-acetamido-2-(1H-indol-3-ylmethyl)-1-oxobut-3-enyl]amino]acetic acid IUPAC Name: 2-[[2-acetamido-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]acetic acid Traditional Name: 2-[[2-acetamido-2-(1H-indol-3-ylmethyl)but-3-enoyl]amino]acetic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-3-17(20-11(2)21,16(24)19-10-15(22)23)8-12-9-18-14-7-5-4-6-13(12)14/h3-7,9,18H,1,8,10H2,2H3,(H,19,24)(H,20,21)(H,22,23)