3-(1H-indol-3-yl)-2-[(2-methyl-2-oxidanyl-dec-3-ynyl)amino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(2-methyl-2-oxidanyl-dec-3-ynyl)amino]propanoic acid Openeye Name: 2-[(2-hydroxy-2-methyl-dec-3-ynyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(2-hydroxy-2-methyldec-3-ynyl)amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(2-hydroxy-2-methyldec-3-ynyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(2-hydroxy-2-methyl-dec-3-ynyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC(C)(CNC(CC1=CNC2=CC=CC=C21)C(=O)O)O

Isomeric SMILES

CCCCCCC#CC(C)(CNC(CC1=CNC2=CC=CC=C21)C(=O)O)O

InChI

InChI=1S/C22H30N2O3/c1-3-4-5-6-7-10-13-22(2,27)16-24-20(21(25)26)14-17-15-23-19-12-9-8-11-18(17)19/h8-9,11-12,15,20,23-24,27H,3-7,14,16H2,1-2H3,(H,25,26)