(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O4/c1-13(2)17(22-20(28)21-14-8-4-3-5-9-14)19(27)29-12-25-18(26)15-10-6-7-11-16(15)23-24-25/h3-11,13,17H,12H2,1-2H3,(H2,21,22,28)/t17-/m1/s1