(2S)-4-methyl-2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[(3-oxidobenzofurazan-3-ium-5-carbonyl)amino]valeric acid Formula: C13H15N3O5 MolecularWeight: 293.2753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC2=[N+](ON=C2C=C1)[O-]

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC2=[N+](ON=C2C=C1)[O-]

InChI

InChI=1S/C13H15N3O5/c1-7(2)5-10(13(18)19)14-12(17)8-3-4-9-11(6-8)16(20)21-15-9/h3-4,6-7,10H,5H2,1-2H3,(H,14,17)(H,18,19)/t10-/m0/s1