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

Systemtic Name: 3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]propionic acid Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5O4/c26-18(11-25-19(27)14-6-2-4-8-16(14)23-24-25)22-17(20(28)29)9-12-10-21-15-7-3-1-5-13(12)15/h1-8,10,17,21H,9,11H2,(H,22,26)(H,28,29)