3-(1H-indol-3-yl)-2-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[4-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[4-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O

InChI

InChI=1S/C23H22N2O4/c1-23(2,29)12-11-15-7-9-16(10-8-15)21(26)25-20(22(27)28)13-17-14-24-19-6-4-3-5-18(17)19/h3-10,14,20,24,29H,13H2,1-2H3,(H,25,26)(H,27,28)