(2S,3S,4R,5R)-5-[6-[3-[6-[[2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-yl-pyrrol-2-yl)methylidene]pyrrol-2-yl]ethenyl]phenoxy]acetyl]amino]hexanoylamino]propylamino]purin-9-yl]-3,4-dihydroxy-oxolane-2-carboxylic acid
Molecular Formula:
C42H44BF2N9O8S
InChI: InChI=1/C42H44BF2N9O8S/c44-43(45)54-29(14-17-31(54)32-6-4-21-63-32)22-28-13-12-27(52-28)11-8-26-9-15-30(16-10-26)61-23-34(56)47-18-3-1-2-7-33(55)46-19-5-20-48-39-35-40(50-24-49-39)53(25-51-35)41-37(58)36(57)38(62-41)42(59)60/h4,6,8-17,21-22,24-25,36-38,41,57-58H,1-3,5,7,18-20,23H2,(H,46,55)(H,47,56)(H,59,60)(H,48,49,50)/b11-8+,28-22-/t36-,37+,38-,41+/m0/s1/f/h46-48,59H
InChIKey: InChIKey=WZJCDIQHMWLPRA-MVBWPGKEDM
SMILES: B(N1C(=CC=C1C2=CC=CS2)C=C3C=CC(=N3)C=CC4=CC=C(C=C4)OCC(=O)NCCCCCC(=O)NCCCNC5=NC=NC6=C5N=CN6C7C(C(C(O7)C(=O)O)O)O)(F)F
Names:
(2S,3S,4R,5R)-5-[6-[3-[6-[[2-[4-[(E)-2-[(5Z)-5-[(1-difluoroboranyl-5-thiophen-2-yl-pyrrol-2-yl)methylidene]pyrrol-2-yl]ethenyl]phenoxy]acetyl]amino]hexanoylamino]propylamino]purin-9-yl]-3,4-dihydroxy-oxolane-2-carboxylic acid
Registries:
PubChem CID 11498863
PubChem ID 16600656
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