[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H19N3O4/c1-3-8-19-17(23)11-25-18(24)16(21-12(2)22)9-13-10-20-15-7-5-4-6-14(13)15/h1,4-7,10,16,20H,8-9,11H2,2H3,(H,19,23)(H,21,22)/t16-/m0/s1