SMILES和InChIs
SMILES:
COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@]2(O)[C@H](O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@H]([C@@H](O)[C@@H]3OP(=O)(O)O)n3cnc4c(N)ncnc34)C2(C)C)cc(OC)c1O
Canonical SMILES:
COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@]2(O)[C@@H](C2(C)C)O[P@@](=O)(O[P@](=O)(OC[C@H]2O[C@H]([C@H]([C@@H]2OP(=O)(O)O)O)n2cnc3c2ncnc3N)O)O)cc(c1O)OC
InChI:
InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32-/m1/s1
InChIKey:
HJGDVDUGXUSOGA-YMVOPXNESA-N