2-acetamido-2-(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)propanedioic acid

Systemtic Name: 2-acetamido-2-(7-bromanyl-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)propanedioic acid Openeye Name: 2-acetamido-2-[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid CAS Name: 2-acetamido-2-[7-bromo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]propanedioic acid IUPAC Name: 2-acetamido-2-(7-bromo-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)propanedioic acid Traditional Name: 2-acetamido-2-[7-bromo-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]malonic acid Formula: C19H15BrN4O5 MolecularWeight: 459.2502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=N3)(C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(C1=NC2=C(C=C(C=C2)Br)C(=NC1)C3=CC=CC=N3)(C(=O)O)C(=O)O

InChI

InChI=1S/C19H15BrN4O5/c1-10(25)24-19(17(26)27,18(28)29)15-9-22-16(14-4-2-3-7-21-14)12-8-11(20)5-6-13(12)23-15/h2-8H,9H2,1H3,(H,24,25)(H,26,27)(H,28,29)