(2S)-2-azanyl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[1-(p-tolylsulfonyl)imidazol-4-yl]propanoic acid CAS Name: (2S)-2-amino-3-[1-(4-methylphenyl)sulfonyl-4-imidazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid Traditional Name: (2S)-2-amino-3-(1-tosylimidazol-4-yl)propionic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C13H15N3O4S/c1-9-2-4-11(5-3-9)21(19,20)16-7-10(15-8-16)6-12(14)13(17)18/h2-5,7-8,12H,6,14H2,1H3,(H,17,18)/t12-/m0/s1