(2S)-3-methyl-2-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCCCCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)CCCCCN1C(=O)C2=CC=CC=C2N=N1

InChI

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