600
6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID
Find entries where: 600
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 6-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL]-2-[(1S)-1-METHOXY-3-METHYLBUTYL]QUINOLIN-8-YLPHOSPHONIC ACID |
Identifiers | [[4-[(2R)-2-(benzotriazol-1-yl)-3-[4-[2-[(1S)-1-methoxy-3-methyl-butyl]-8-phosphono-quinolin-6-yl]phenyl]-2-phenyl-propyl]phenyl]-difluoro-methyl]phosphonic acid |
Formula | C43 H42 F2 N4 O7 P2 |
Molecular Weight | 826.761 |
Type | NON-POLYMER |
Isomeric SMILES | CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC |
InChI | InChI=1S/C43H42F2N4O7P2/c1-28(2)23-39(56-3)37-22-19-32-24-33(25-40(41(32)46-37)57(50,51)52)31-17-13-29(14-18-31)26-42(34-9-5-4-6-10-34,49-38-12-8-7-11-36(38)47-48-49)27-30-15-20-35(21-16-30)43(44,45)58(53,54)55/h4-22,24-25,28,39H,23,26-27H2,1-3H3,(H2,50,51,52)(H2,53,54,55)/t39-,42+/m0/s1 |
InChIKey | USHZWXCUJLENMD-KWLHKINFSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 100 |
Chiral Atom Count | 2 |
Bond Count | 106 |
Aromatic Bond Count | 40 |
Related Resource References
Resource Name | Reference |
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PubChem | 448031 |