MDL | MFCD02259692 |
---|---|
InChIKey | NVVGCQABIHSJSQ-KFZSMJGVSA-N |
Inchi | InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1 |
SMILES | CC(C[C@H](NC(CC1=CC=C(NC(NC2=CC=CC=C2C)=O)C=C1)=O)C(N[C@H](C(N[C@H](C(N3CCC[C@H]3C(O)=O)=O)C(C)C)=O)CC(O)=O)=O)C |
氢键供体数量 | 7 |
---|---|
氢键受体数量 | 15 |
可旋转化学键数量 | 22 |
重原子数量 | 51 |
SMILES:CC(C)C[C@H](NC(=O)CC1=CC=C(C=C1)NC(=O)NC2C(C)=CC=CC=2)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N3[C@H](C(O)=O)CCC3
ExSMILES:708.34854
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC36H48N6O9