Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C75H124N14O16.C2HF3O2 |
| Molecular Weight | 1591.8946 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(F)(F)F.[H][C@](NC(=O)[C@H](NC(=O)CC[C@@H](C)CC)C(C)C)([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N1CCC[C@]1([H])C(=O)N[C@@H](CCCN)C(=O)N[C@]([H])([C@@H](C)CC)C(=O)N[C@@H]2[C@@H](C)OC(=O)[C@@H](NC(=O)\C(NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](NC(=O)[C@]([H])(NC2=O)[C@@H](C)CC)C(C)C)=C\C)C(C)C
InChI
InChIKey=FUDHRLIJYPGBOX-MWGCIELCSA-N
InChI=1S/C75H124N14O16.C2HF3O2/c1-20-43(15)33-34-53(91)80-54(38(5)6)68(97)87-61(46(18)90)72(101)82-56(40(9)10)69(98)83-57(41(11)12)74(103)89-36-28-32-52(89)66(95)78-50(31-27-35-76)64(93)85-59(44(16)21-2)71(100)88-62-47(19)105-75(104)58(42(13)14)84-63(92)49(23-4)77-65(94)51(37-48-29-25-24-26-30-48)79-67(96)55(39(7)8)81-70(99)60(45(17)22-3)86-73(62)102;3-2(4,5)1(6)7/h23-26,29-30,38-47,50-52,54-62,90H,20-22,27-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100);(H,6,7)/b49-23-;/t43-,44-,45-,46+,47+,50-,51-,52+,54+,55+,56-,57+,58-,59+,60+,61-,62+;/m0./s1
| Molecular Formula | C75H124N14O16 |
| Molecular Weight | 1477.8713 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 17 / 17 |
| E/Z Centers | 6 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C2HF3O2 |
| Molecular Weight | 114.0233 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:58:43 UTC 2023
by
admin
on
Sat Dec 16 09:58:43 UTC 2023
|
| Record UNII |
3I37B5DY4Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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46926348
Created by
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3I37B5DY4Q
Created by
admin on Sat Dec 16 09:58:43 UTC 2023 , Edited by admin on Sat Dec 16 09:58:43 UTC 2023
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915713-02-9
Created by
admin on Sat Dec 16 09:58:43 UTC 2023 , Edited by admin on Sat Dec 16 09:58:43 UTC 2023
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m4871
Created by
admin on Sat Dec 16 09:58:43 UTC 2023 , Edited by admin on Sat Dec 16 09:58:43 UTC 2023
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PRIMARY | Merck Index | ||
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DB05158
Created by
admin on Sat Dec 16 09:58:43 UTC 2023 , Edited by admin on Sat Dec 16 09:58:43 UTC 2023
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PRIMARY |
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