6NSR006_ necroxime_A.1d
URL: https://nmrxiv.org/D104
Chemical Info
| InChI |
InChI=1S/C33H44N4O11/c1-20(38)18-28(42)37-23(10-3-4-15-34)32(43)47-26-19-22(9-6-16-35-27(41)12-7-17-36-45-2)46-33(44)29-21(8-5-11-24(29)39)13-14-25(40)30-31(26)48-30/h5-8,11-14,16-17,20,22-23,25-26,30-31,38-40H,3-4,9-10,15,18-19,34H2,1-2H3,(H,35,41)(H,37,42)/b12-7-,14-13+,16-6+,36-17+ |
| SMILES |
CO/N=C/C=C\C(=O)N/C=C/CC1CC(OC(=O)C(CCCCN)NC(=O)CC(C)O)C2OC2C(O)/C=C/C2=CC=CC(O)=C2C(=O)O1 |
| InChI Key |
DCGOFMMAYQGADN-WUFKFVIHSA-N |
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