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FURNA

PDB CCD ID: 80P
Number of entries in FURNA: 9
Chemical formula: C28 H32 F3 N3 O7
InChI: InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1
InChIKey: IDWTZCZXXFOLNV-DOYYSQEVSA-N
SMILES: CCN(CC)C1C2CC3Cc4c(c(cc(c4C(F)(F)F)C5CCCN5)O)C(=O)C3=C(C2(C(=O)C(=C1O)C(=O)N)O)O;
CCN(CC)[CH]1[CH]2C[CH]3Cc4c(c(O)cc([CH]5CCCN5)c4C(F)(F)F)C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O;
CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(cc(c4C(F)(F)F)[C@@H]5CCCN5)O)C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O;
CCN(CC)[C@H]1[C@@H]2C[C@@H]3Cc4c(c(O)cc([C@@H]5CCCN5)c4C(F)(F)F)C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O;
NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F
Name:(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide;
TP-6076
Reference:
  • Chengxin Zhang, P. Lydia Freddolino (2023) FURNA: a database for function annotations of RNA structures, bioRxiv 2023.12.19.572314.

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