(2S)-2-[[(2S)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2S)-4-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2S)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-methyl-pentanoyl]amino]glutarate Formula: C18H20N4O6-2 MolecularWeight: 388.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C18H22N4O6/c1-10(2)9-14(16(25)19-13(18(27)28)7-8-15(23)24)22-17(26)11-5-3-4-6-12(11)20-21-22/h3-6,10,13-14H,7-9H2,1-2H3,(H,19,25)(H,23,24)(H,27,28)/p-2/t13-,14-/m0/s1