RI01722626 | Sarecycline,4TMS,isomer#5 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Semi standard non polar | 3591.2808 |
RI01722625 | Sarecycline,4TMS,isomer#1 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Semi standard non polar | 3658.5244 |
RI01722624 | Sarecycline,3TMS,isomer#10 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Semi standard non polar | 3601.1196 |
RI01722623 | Sarecycline,3TMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Semi standard non polar | 3673.737 |
RI01722622 | Sarecycline,3TMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Semi standard non polar | 3628.5615 |
RI01722621 | Sarecycline,2TMS,isomer#6 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 631.2745 | Semi standard non polar | 3673.8032 |
RI01722620 | Sarecycline,3TBDMS,isomer#10 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C(C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Standard non polar | 4348.7617 |
RI01722619 | Sarecycline,3TBDMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Standard non polar | 4167.85 |
RI01722618 | Sarecycline,3TBDMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 829.4549 | Standard non polar | 4193.5103 |
RI01722617 | Sarecycline,2TBDMS,isomer#6 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C2=O | TBDMS | 715.3684 | Standard non polar | 4009.057 |
RI01722616 | Sarecycline,5TMS,isomer#5 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard non polar | 3671.3545 |
RI01722615 | Sarecycline,5TMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard non polar | 3705.01 |
RI01722614 | Sarecycline,5TMS,isomer#3 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard non polar | 3634.5488 |
RI01722613 | Sarecycline,5TMS,isomer#2 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O)=C1C2=O | TMS | 847.3931 | Standard non polar | 3636.157 |
RI01722612 | Sarecycline,5TMS,isomer#1 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 847.3931 | Standard non polar | 3804.1565 |
RI01722611 | Sarecycline,4TMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Standard non polar | 3806.0828 |
RI01722610 | Sarecycline,4TMS,isomer#5 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Standard non polar | 3827.4824 |
RI01722609 | Sarecycline,4TMS,isomer#1 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 775.3536 | Standard non polar | 3675.2678 |
RI01722608 | Sarecycline,3TMS,isomer#10 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(=O)N[Si](C)(C)C)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Standard non polar | 3817.324 |
RI01722607 | Sarecycline,3TMS,isomer#8 | JsmolCON(C)CC1=CC=C(O[Si](C)(C)C)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Standard non polar | 3653.4954 |
RI01722606 | Sarecycline,3TMS,isomer#4 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O[Si](C)(C)C)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 703.314 | Standard non polar | 3675.828 |
RI01722605 | Sarecycline,2TMS,isomer#6 | JsmolCON(C)CC1=CC=C(O)C2=C1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1C2=O | TMS | 631.2745 | Standard non polar | 3631.6816 |
RI01722604 | Pegvaliase-Pqpz,4TBDMS,isomer#1 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 774.5614 | Standard polar | 3214.679 |
RI01722603 | Pegvaliase-Pqpz,3TBDMS,isomer#3 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 660.4749 | Standard polar | 3360.4238 |
RI01722602 | Pegvaliase-Pqpz,3TBDMS,isomer#2 | JsmolCOCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 660.4749 | Standard polar | 3265.4585 |