2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-3-[2-[[5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxidanylidene-1H-pyridin-3-yl]carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]-3-[2-[[5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxidanylidene-1H-pyridin-3-yl]carbonylamino]ethanoylamino]propanoic acid Openeye Name: 2-(3,5-dichloro-2-hydroxy-phenyl)-3-[[2-[[5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid CAS Name: 2-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[[5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridin-3-yl]-oxomethyl]amino]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-(3,5-dichloro-2-hydroxyphenyl)-3-[[2-[[5-(4,5-dihydro-1H-imidazol-2-ylamino)-6-oxo-1H-pyridine-3-carbonyl]amino]acetyl]amino]propanoic acid Traditional Name: 2-(3,5-dichloro-2-hydroxy-phenyl)-3-[[2-[[5-(2-imidazolin-2-ylamino)-6-keto-1H-pyridine-3-carbonyl]amino]acetyl]amino]propionic acid Formula: C20H20Cl2N6O6 MolecularWeight: 511.3154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC(=CNC2=O)C(=O)NCC(=O)NCC(C3=CC(=CC(=C3O)Cl)Cl)C(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=CC(=CNC2=O)C(=O)NCC(=O)NCC(C3=CC(=CC(=C3O)Cl)Cl)C(=O)O

InChI

InChI=1S/C20H20Cl2N6O6/c21-10-4-11(16(30)13(22)5-10)12(19(33)34)7-25-15(29)8-27-17(31)9-3-14(18(32)26-6-9)28-20-23-1-2-24-20/h3-6,12,30H,1-2,7-8H2,(H,25,29)(H,26,32)(H,27,31)(H,33,34)(H2,23,24,28)