3-[[(3S)-3-methyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: 3-[[(3S)-3-methyl-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-1H-1,2,4-triazole-5-carboxylate Openeye Name: 3-[[(3S)-3-methyl-5-oxido-5-oxo-pentanoyl]amino]-1H-1,2,4-triazole-5-carboxylate CAS Name: 3-[[(3S)-3-methyl-5-oxido-1,5-dioxopentyl]amino]-1H-1,2,4-triazole-5-carboxylate IUPAC Name: 3-[[(3S)-3-methyl-5-oxido-5-oxopentanoyl]amino]-1H-1,2,4-triazole-5-carboxylate Traditional Name: 3-[[(3S)-5-keto-3-methyl-5-oxido-pentanoyl]amino]-1H-1,2,4-triazole-5-carboxylate Formula: C9H10N4O5-2 MolecularWeight: 254.1995

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=NNC(=N1)C(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C[C@@H](CC(=O)NC1=NNC(=N1)C(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C9H12N4O5/c1-4(3-6(15)16)2-5(14)10-9-11-7(8(17)18)12-13-9/h4H,2-3H2,1H3,(H,15,16)(H,17,18)(H2,10,11,12,13,14)/p-2/t4-/m0/s1