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

Systemtic Name: 3-(1H-indol-3-yl)-2-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoylamino]propionic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H21N5O4/c28-20(10-5-11-27-21(29)16-7-2-4-9-18(16)25-26-27)24-19(22(30)31)12-14-13-23-17-8-3-1-6-15(14)17/h1-4,6-9,13,19,23H,5,10-12H2,(H,24,28)(H,30,31)