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

Systemtic Name: methyl (2S)-4-methyl-2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(3-oxidobenzofurazan-3-ium-5-carbonyl)amino]valeric acid methyl ester Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5/c1-8(2)6-11(14(19)21-3)15-13(18)9-4-5-10-12(7-9)17(20)22-16-10/h4-5,7-8,11H,6H2,1-3H3,(H,15,18)/t11-/m0/s1