2-azanyl-5-[[2-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[2-[(4-bromanyl-2-pyridin-2-ylcarbonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[2-[4-bromo-2-[oxo(2-pyridinyl)methyl]anilino]-2-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[2-[4-bromo-2-(pyridine-2-carbonyl)anilino]-2-oxoethyl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(4-bromo-2-picolinoyl-anilino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C19H19BrN4O5 MolecularWeight: 463.28196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)CNC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C19H19BrN4O5/c20-11-4-6-14(12(9-11)18(27)15-3-1-2-8-22-15)24-17(26)10-23-16(25)7-5-13(21)19(28)29/h1-4,6,8-9,13H,5,7,10,21H2,(H,23,25)(H,24,26)(H,28,29)