6-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]hexanoate

Systemtic Name: 6-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]hexanoate Openeye Name: 6-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]hexanoate CAS Name: 6-[[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]hexanoate IUPAC Name: 6-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]hexanoate Formula: C18H23N4O4- MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4/c1-12(2)16(17(25)19-11-7-3-4-10-15(23)24)22-18(26)13-8-5-6-9-14(13)20-21-22/h5-6,8-9,12,16H,3-4,7,10-11H2,1-2H3,(H,19,25)(H,23,24)/p-1/t16-/m0/s1