RI01721751 | Melphalan Flufenamide,3TMS,isomer#1 | JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)N(C(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C | TMS | 713.2834 | Standard non polar | 3336.0386 |
RI01721750 | Melphalan Flufenamide,2TMS,isomer#2 | JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N([Si](C)(C)C)[Si](C)(C)C | TMS | 641.2439 | Standard non polar | 3304.9626 |
RI01721749 | Melphalan Flufenamide,2TMS,isomer#1 | JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)N(C(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N[Si](C)(C)C)[Si](C)(C)C | TMS | 641.2439 | Standard non polar | 3237.1416 |
RI01721748 | Melphalan Flufenamide,1TMS,isomer#2 | JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)N(C(=O)[C@@H](N)CC1=CC=C(N(CCCl)CCCl)C=C1)[Si](C)(C)C | TMS | 569.2044 | Standard non polar | 3163.5667 |
RI01721747 | Melphalan Flufenamide,1TMS,isomer#1 | JsmolCCOC(=O)[C@H](CC1=CC=C(F)C=C1)NC(=O)[C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N[Si](C)(C)C | TMS | 569.2044 | Standard non polar | 3209.5713 |
RI01721746 | Ibrexafungerp ,2TMS,isomer#2 | JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O | TMS | 873.5984 | Standard polar | 6044.802 |
RI01721745 | Ibrexafungerp ,2TMS,isomer#1 | JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O[Si](C)(C)C | TMS | 873.5984 | Standard polar | 5925.39 |
RI01721744 | Ibrexafungerp ,2TMS,isomer#2 | JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O | TMS | 873.5984 | Semi standard non polar | 5340.626 |
RI01721743 | Ibrexafungerp ,2TMS,isomer#1 | JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O[Si](C)(C)C | TMS | 873.5984 | Semi standard non polar | 5035.353 |
RI01721742 | Ibrexafungerp ,2TMS,isomer#2 | JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O | TMS | 873.5984 | Standard non polar | 5447.046 |
RI01721741 | Ibrexafungerp ,2TMS,isomer#1 | JsmolCC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](N4N=CN=C4C4=CC=NC=C4)[C@@H]5OC[C@](C)(N[Si](C)(C)C)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O[Si](C)(C)C | TMS | 873.5984 | Standard non polar | 5326.3525 |
RI01721740 | Difelikefalin,3TMS,isomer#53 | JsmolCC(C)C[C@H](C(=O)N([C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)C)N(C(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8811.761 |
RI01721739 | Difelikefalin,3TMS,isomer#52 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N([C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8413.026 |
RI01721738 | Difelikefalin,3TMS,isomer#51 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N[C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1 | TMS | 895.5243 | Standard polar | 8340.182 |
RI01721737 | Difelikefalin,3TMS,isomer#50 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N([C@H](CCCCN)C(=O)N1CCC(N[Si](C)(C)C)(C(=O)O)CC1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8214.867 |
RI01721736 | Difelikefalin,3TMS,isomer#49 | JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(N[Si](C)(C)C)(C(=O)O)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8234.191 |
RI01721735 | Difelikefalin,3TMS,isomer#48 | JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8422.753 |
RI01721734 | Difelikefalin,3TMS,isomer#47 | JsmolCC(C)C[C@H](C(=O)N([C@H](CCCCN)C(=O)N1CCC(N[Si](C)(C)C)(C(=O)O)CC1)[Si](C)(C)C)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8304.721 |
RI01721733 | Difelikefalin,3TMS,isomer#46 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N([C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8549.367 |
RI01721732 | Difelikefalin,3TMS,isomer#45 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1 | TMS | 895.5243 | Standard polar | 8477.861 |
RI01721731 | Difelikefalin,3TMS,isomer#44 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)C(=O)N([C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8379.413 |
RI01721730 | Difelikefalin,3TMS,isomer#43 | JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)N(C(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8397.294 |
RI01721729 | Difelikefalin,3TMS,isomer#42 | JsmolCC(C)C[C@H](C(=O)N[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8558.329 |
RI01721728 | Difelikefalin,3TMS,isomer#41 | JsmolCC(C)C[C@H](C(=O)N([C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(N)(C(=O)O)CC1)[Si](C)(C)C)N(C(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)[Si](C)(C)C | TMS | 895.5243 | Standard polar | 8467.305 |
RI01721727 | Difelikefalin,3TMS,isomer#40 | JsmolCC(C)C[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N[C@H](CCCCN[Si](C)(C)C)C(=O)N1CCC(C(=O)O)(N([Si](C)(C)C)[Si](C)(C)C)CC1 | TMS | 895.5243 | Standard polar | 8010.0903 |