Bromoageliferin

Catalog Number	ACMA00027293
Synonyms	N-[[(4R,5R,6S)-2-Amino-4-(2-amino-1H-imidazol-5-yl)-6-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl]-4,5,6,7-tetrahydro-1H-benzimidazol-5-yl]methyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Molecular Weight	699.2
InChI	InChI=1S/C22H23Br3N10O2/c23-9-2-13(28-5-9)19(36)29-4-8-1-12-17(35-22(27)33-12)16(15-7-31-21(26)34-15)10(8)6-30-20(37)14-3-11(24)18(25)32-14/h2-3,5,7-8,10,16,28,32H,1,4,6H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,33,35)/t8-,10-,16-/m1/s1
InChI Key	ZPPBXYMLLGMARQ-DOZZXWOPSA-N
Purity	90%+
Complexity	845
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	697.95351
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	8
Isomeric SMILES	C1[C@@H]([C@H]([C@@H](C2=C1NC(=N2)N)C3=CN=C(N3)N)CNC(=O)C4=CC(=C(N4)Br)Br)CNC(=O)C5=CC(=CN5)Br
Monoisotopic Mass	697.95351
Rotatable Bond Count	7
Topological Polar Surface Area	199 Ų

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