(2S)-3-methyl-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(4-nitro-2,1,3-benzothiadiazol-5-yl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(4-nitropiazthiol-5-yl)amino]butyric acid Formula: C11H12N4O4S MolecularWeight: 296.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=C(C2=NSN=C2C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC1=C(C2=NSN=C2C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O4S/c1-5(2)8(11(16)17)12-7-4-3-6-9(14-20-13-6)10(7)15(18)19/h3-5,8,12H,1-2H3,(H,16,17)/t8-/m0/s1