3-(1H-imidazol-5-yl)-3-[2-thiophen-2-ylethyl(1H-1,2,4-triazol-5-ylmethyl)amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-3-[2-thiophen-2-ylethyl(1H-1,2,4-triazol-5-ylmethyl)amino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-3-[2-(2-thienyl)ethyl-(1H-1,2,4-triazol-5-ylmethyl)amino]propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-3-[2-thiophen-2-ylethyl(1H-1,2,4-triazol-5-ylmethyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-3-[2-thiophen-2-ylethyl(1H-1,2,4-triazol-5-ylmethyl)amino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-3-[2-(2-thienyl)ethyl-(1H-1,2,4-triazol-5-ylmethyl)amino]propionic acid Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCN(CC2=NC=NN2)C(CC(=O)O)C3=CN=CN3

Isomeric SMILES

C1=CSC(=C1)CCN(CC2=NC=NN2)C(CC(=O)O)C3=CN=CN3

InChI

InChI=1S/C15H18N6O2S/c22-15(23)6-13(12-7-16-9-17-12)21(8-14-18-10-19-20-14)4-3-11-2-1-5-24-11/h1-2,5,7,9-10,13H,3-4,6,8H2,(H,16,17)(H,22,23)(H,18,19,20)