2-azanyl-5-[[4-(5-bromanyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[4-(5-bromanyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[4-(5-bromo-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzyl]amino]-5-keto-valeric acid Formula: C25H23BrN4O3 MolecularWeight: 507.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)C4=CC=C(C=C4)CNC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC(=CN=C3N2)Br)C4=CC=C(C=C4)CNC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C25H23BrN4O3/c26-18-12-19-22(23(30-24(19)29-14-18)17-4-2-1-3-5-17)16-8-6-15(7-9-16)13-28-21(31)11-10-20(27)25(32)33/h1-9,12,14,20H,10-11,13,27H2,(H,28,31)(H,29,30)(H,32,33)