(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O4/c1-13(27)23-19(10-14-11-22-17-8-4-2-6-15(14)17)21(29)30-12-26-20(28)16-7-3-5-9-18(16)24-25-26/h2-9,11,19,22H,10,12H2,1H3,(H,23,27)/t19-/m0/s1