RI01722584 | Pegvaliase-Pqpz,2TBDMS,isomer#4 | JsmolCOCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 546.3884 | Semi standard non polar | 3346.2207 |
RI01722585 | Pegvaliase-Pqpz,3TBDMS,isomer#1 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 660.4749 | Semi standard non polar | 3382.6274 |
RI01722586 | 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 | Semi standard non polar | 3572.1057 |
RI01722587 | 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 | Semi standard non polar | 3525.5178 |
RI01722588 | 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 | Semi standard non polar | 3746.9014 |
RI01722589 | Pegvaliase-Pqpz,2TMS,isomer#1 | JsmolCOCCOCCCCCC(=O)NCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C | TMS | 462.2945 | Standard polar | 3312.8188 |
RI01722590 | Pegvaliase-Pqpz,2TMS,isomer#2 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 462.2945 | Standard polar | 3933.6077 |
RI01722591 | Pegvaliase-Pqpz,2TMS,isomer#3 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C | TMS | 462.2945 | Standard polar | 3471.216 |
RI01722592 | Pegvaliase-Pqpz,2TMS,isomer#4 | JsmolCOCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C | TMS | 462.2945 | Standard polar | 3459.9717 |
RI01722593 | Pegvaliase-Pqpz,3TMS,isomer#1 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C | TMS | 534.3341 | Standard polar | 3010.3735 |
RI01722594 | Pegvaliase-Pqpz,3TMS,isomer#2 | JsmolCOCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C | TMS | 534.3341 | Standard polar | 3052.6487 |
RI01722595 | Pegvaliase-Pqpz,3TMS,isomer#3 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 534.3341 | Standard polar | 3188.9092 |
RI01722596 | Pegvaliase-Pqpz,4TMS,isomer#1 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 606.3736 | Standard polar | 2853.4326 |
RI01722597 | Pegvaliase-Pqpz,2TBDMS,isomer#1 | JsmolCOCCOCCCCCC(=O)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | TBDMS | 546.3884 | Standard polar | 3347.0066 |
RI01722598 | Pegvaliase-Pqpz,2TBDMS,isomer#2 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 546.3884 | Standard polar | 3832.7388 |
RI01722599 | Pegvaliase-Pqpz,2TBDMS,isomer#3 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C | TBDMS | 546.3884 | Standard polar | 3482.9844 |
RI01722600 | Pegvaliase-Pqpz,2TBDMS,isomer#4 | JsmolCOCCOCCCCCC(=O)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 546.3884 | Standard polar | 3446.8389 |
RI01722601 | Pegvaliase-Pqpz,3TBDMS,isomer#1 | JsmolCOCCOCCCCCC(=O)N(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 660.4749 | Standard polar | 3276.7786 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |