(2S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-methyl-butyrate Formula: C14H15N4O4- MolecularWeight: 303.2933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C14H16N4O4/c1-8(2)12(14(21)22)15-11(19)7-18-13(20)9-5-3-4-6-10(9)16-17-18/h3-6,8,12H,7H2,1-2H3,(H,15,19)(H,21,22)/p-1/t12-/m0/s1