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Catalog Number | ACMA00027294 |
Synonyms | N-[(E)-3-[2-Amino-5-[2-amino-4-[(E)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-5-oxo-1H-imidazol-4-yl]-1H-imidazol-4-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
Molecular Weight | 792.1 |
InChI | InChI=1S/C22H20Br4N10O3/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39)/b3-1+,4-2+ |
InChI Key | AACKLUYHFHIQSO-ZPUQHVIOSA-N |
Purity | 90%+ |
Complexity | 1050 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 0 |
Exact Mass | 791.84124 |
Heavy Atom Count | 39 |
Hydrogen Bond Acceptor Count | 6 |
Hydrogen Bond Donor Count | 8 |
Isomeric SMILES | C1=C(NC(=C1Br)Br)C(=O)NC/C=C/C2=C(NC(=N2)N)C3(C(=O)NC(=N3)N)/C=C/CNC(=O)C4=CC(=C(N4)Br)Br |
Monoisotopic Mass | 787.84533 |
Rotatable Bond Count | 9 |
Topological Polar Surface Area | 212 Ų |
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