(2S)-2-azanyl-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[1-(2-cyanoethyl)-4-imidazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[1-(2-cyanoethyl)imidazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[1-(2-cyanoethyl)imidazol-4-yl]propionic acid Formula: C9H12N4O2 MolecularWeight: 208.21718

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1CCC#N)CC(C(=O)O)N

Isomeric SMILES

C1=C(N=CN1CCC#N)C[C@@H](C(=O)O)N

InChI

InChI=1S/C9H12N4O2/c10-2-1-3-13-5-7(12-6-13)4-8(11)9(14)15/h5-6,8H,1,3-4,11H2,(H,14,15)/t8-/m0/s1