2-(2-azanyl-1H-imidazol-3-ium-5-yl)-3-[4-(6-bromanyl-1H-indol-3-yl)-2-[(6-oxidanyl-1H-indol-3-yl)carbonyl]-1H-imidazol-5-yl]propanoate

Systemtic Name: 2-(2-azanyl-1H-imidazol-3-ium-5-yl)-3-[4-(6-bromanyl-1H-indol-3-yl)-2-[(6-oxidanyl-1H-indol-3-yl)carbonyl]-1H-imidazol-5-yl]propanoate Openeye Name: 2-(2-amino-1H-imidazol-3-ium-5-yl)-3-[4-(6-bromo-1H-indol-3-yl)-2-(6-hydroxy-1H-indole-3-carbonyl)-1H-imidazol-5-yl]propanoate CAS Name: 2-(2-amino-1H-imidazol-3-ium-5-yl)-3-[4-(6-bromo-1H-indol-3-yl)-2-[(6-hydroxy-1H-indol-3-yl)-oxomethyl]-1H-imidazol-5-yl]propanoate IUPAC Name: 2-(2-amino-1H-imidazol-3-ium-5-yl)-3-[4-(6-bromo-1H-indol-3-yl)-2-(6-hydroxy-1H-indole-3-carbonyl)-1H-imidazol-5-yl]propanoate Traditional Name: 2-(2-amino-1H-imidazol-3-ium-5-yl)-3-[4-(6-bromo-1H-indol-3-yl)-2-(6-hydroxy-1H-indole-3-carbonyl)-1H-imidazol-5-yl]propionate Formula: C26H20BrN7O4 MolecularWeight: 574.3855

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC(=C(N3)CC(C4=C[NH+]=C(N4)N)C(=O)[O-])C5=CNC6=C5C=CC(=C6)Br

Isomeric SMILES

C1=CC2=C(C=C1O)NC=C2C(=O)C3=NC(=C(N3)CC(C4=C[NH+]=C(N4)N)C(=O)[O-])C5=CNC6=C5C=CC(=C6)Br

InChI

InChI=1S/C26H20BrN7O4/c27-11-1-3-13-16(8-29-18(13)5-11)22-20(7-15(25(37)38)21-10-31-26(28)33-21)32-24(34-22)23(36)17-9-30-19-6-12(35)2-4-14(17)19/h1-6,8-10,15,29-30,35H,7H2,(H,32,34)(H,37,38)(H3,28,31,33)