2-[[2-(ethynylamino)-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]propanoic acid

Systemtic Name: 2-[[2-(ethynylamino)-3-(5-oxidanyl-1H-indol-3-yl)propanoyl]amino]propanoic acid Openeye Name: 2-[[2-(ethynylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]propanoic acid CAS Name: 2-[[2-(ethynylamino)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[[2-(ethynylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]propanoic acid Traditional Name: 2-[[2-(ethynylamino)-3-(5-hydroxy-1H-indol-3-yl)propanoyl]amino]propionic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C(CC1=CNC2=C1C=C(C=C2)O)NC#C

Isomeric SMILES

CC(C(=O)O)NC(=O)C(CC1=CNC2=C1C=C(C=C2)O)NC#C

InChI

InChI=1S/C16H17N3O4/c1-3-17-14(15(21)19-9(2)16(22)23)6-10-8-18-13-5-4-11(20)7-12(10)13/h1,4-5,7-9,14,17-18,20H,6H2,2H3,(H,19,21)(H,22,23)