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

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

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H19N5O4/c27-19(9-10-26-20(28)15-6-2-4-8-17(15)24-25-26)23-18(21(29)30)11-13-12-22-16-7-3-1-5-14(13)16/h1-8,12,18,22H,9-11H2,(H,23,27)(H,29,30)