2-[[2-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(5-bromanyl-1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(5-bromo-1H-indol-3-yl)-2-oxo-acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(5-bromo-1H-indol-3-yl)-1,2-dioxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(5-bromo-1H-indol-3-yl)-2-oxoacetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(5-bromo-1H-indol-3-yl)-2-keto-acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C21H16BrN3O4 MolecularWeight: 454.27344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(=O)C3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(=O)C3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O4/c22-12-5-6-17-14(8-12)15(10-24-17)19(26)20(27)25-18(21(28)29)7-11-9-23-16-4-2-1-3-13(11)16/h1-6,8-10,18,23-24H,7H2,(H,25,27)(H,28,29)