(2R)-1-[(2S)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-4-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-methyl-pentanoyl]pyrrolidine-2-carboxylate Formula: C18H21N4O4- MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCC1C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c1-11(2)10-15(17(24)21-9-5-8-14(21)18(25)26)22-16(23)12-6-3-4-7-13(12)19-20-22/h3-4,6-7,11,14-15H,5,8-10H2,1-2H3,(H,25,26)/p-1/t14-,15+/m1/s1