3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[2-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]propionic acid Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)N3C(=O)C4=CC=CC=C4N=N3

InChI

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