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

Systemtic Name: 2-azanyl-3-[1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid Openeye Name: 2-amino-3-[1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid CAS Name: 2-amino-3-[1-(3-mercapto-1-oxopropyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(3-sulfanylpropanoyl)imidazol-4-yl]propanoic acid Traditional Name: 2-amino-3-[1-(3-mercaptopropanoyl)imidazol-4-yl]propionic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1C(=O)CCS)CC(C(=O)O)N

Isomeric SMILES

C1=C(N=CN1C(=O)CCS)CC(C(=O)O)N

InChI

InChI=1S/C9H13N3O3S/c10-7(9(14)15)3-6-4-12(5-11-6)8(13)1-2-16/h4-5,7,16H,1-3,10H2,(H,14,15)