2-(2-azanylethylamino)-3-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-(2-azanylethylamino)-3-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 2-(2-aminoethylamino)-3-[1-(thiazol-5-ylmethyl)imidazol-4-yl]propanoic acid CAS Name: 2-(2-aminoethylamino)-3-[1-(5-thiazolylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-(2-aminoethylamino)-3-[1-(1,3-thiazol-5-ylmethyl)imidazol-4-yl]propanoic acid Traditional Name: 2-(2-aminoethylamino)-3-[1-(thiazol-5-ylmethyl)imidazol-4-yl]propionic acid Formula: C12H17N5O2S MolecularWeight: 295.36068

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=N1)CN2C=C(N=C2)CC(C(=O)O)NCCN

Isomeric SMILES

C1=C(SC=N1)CN2C=C(N=C2)CC(C(=O)O)NCCN

InChI

InChI=1S/C12H17N5O2S/c13-1-2-15-11(12(18)19)3-9-5-17(7-16-9)6-10-4-14-8-20-10/h4-5,7-8,11,15H,1-3,6,13H2,(H,18,19)