Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

DUX

概要
表記:2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE
別名:1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE
組成式:C28 H25 F N2 O4
電荷:0
化学式量:472.508 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.042',3'-dideoxy-3'-fluoro-5'-O-trityluridine
OpenEye OEToolkits1.5.01-[(2R,4S,5R)-4-fluoro-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=C1NC(=O)N(C=C1)C2OC(C(F)C2)COC(c3ccccc3)(c4ccccc4)c5ccccc5
SMILES_CANONICALCACTVS3.341F[C@H]1C[C@@H](O[C@@H]1COC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O
SMILESCACTVS3.341F[CH]1C[CH](O[CH]1COC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC4C(CC(O4)N5C=CC(=O)NC5=O)F
InChIInChI1.03InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1
InChIKeyInChI1.03GJNIPWYJQUGERM-BFLUCZKCSA-N

223532

件を2024-08-07に公開中

PDB statisticsPDBj update infoContact PDBjnumon