3-[(1-tert-butylpyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(1-tert-butyl-4-pyrazolyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(1-tert-butylpyrazol-4-yl)methylamino]-3-(2-thienyl)propionic acid Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C15H21N3O2S/c1-15(2,3)18-10-11(9-17-18)8-16-12(7-14(19)20)13-5-4-6-21-13/h4-6,9-10,12,16H,7-8H2,1-3H3,(H,19,20)