(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-14(2)19(22-18(26)12-15-8-4-3-5-9-15)21(28)29-13-25-20(27)16-10-6-7-11-17(16)23-24-25/h3-11,14,19H,12-13H2,1-2H3,(H,22,26)/t19-/m0/s1