3-(2-methylpentylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(2-methylpentylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(2-methylpentylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(2-methylpentylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(2-methylpentylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(2-methylpentylamino)-3-(2-thienyl)propionic acid Formula: C13H21NO2S MolecularWeight: 255.37634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CNC(CC(=O)O)C1=CC=CS1

Isomeric SMILES

CCCC(C)CNC(CC(=O)O)C1=CC=CS1

InChI

InChI=1S/C13H21NO2S/c1-3-5-10(2)9-14-11(8-13(15)16)12-6-4-7-17-12/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3,(H,15,16)