Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C53H73F3N10O7 |
| Molecular Weight | 1019.2047 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)N(C)[C@@H]1CC[C@@H]([C@@H](C1)NC(=O)[C@H]2CC[C@@H](CC2)NC(=O)CCCO[C@H]3CC[C@@H](CC3)OCCNC(=O)[C@H]4CC(=O)N(C)[C@@H]4C5=CN=CC=C5)N6CC[C@H](NC7=NC=NC8=CC=C(C=C78)C(F)(F)F)C6=O
InChI
InChIKey=IUEFGOGKSBGEJR-ZWRQJOCDSA-N
InChI=1S/C53H73F3N10O7/c1-32(2)64(3)37-14-20-45(66-24-21-43(52(66)71)62-49-40-27-35(53(54,55)56)11-19-42(40)59-31-60-49)44(28-37)63-50(69)33-9-12-36(13-10-33)61-46(67)8-6-25-72-38-15-17-39(18-16-38)73-26-23-58-51(70)41-29-47(68)65(4)48(41)34-7-5-22-57-30-34/h5,7,11,19,22,27,30-33,36-39,41,43-45,48H,6,8-10,12-18,20-21,23-26,28-29H2,1-4H3,(H,58,70)(H,61,67)(H,63,69)(H,59,60,62)/t33-,36-,37-,38-,39-,41+,43+,44-,45+,48-/m1/s1
| Molecular Formula | C53H73F3N10O7 |
| Molecular Weight | 1019.2047 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:52:52 GMT 2025
by
admin
on
Wed Apr 02 20:52:52 GMT 2025
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| Record UNII |
U9LG9HZ9QS
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English |
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2904546-77-4
Created by
admin on Wed Apr 02 20:52:52 GMT 2025 , Edited by admin on Wed Apr 02 20:52:52 GMT 2025
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U9LG9HZ9QS
Created by
admin on Wed Apr 02 20:52:52 GMT 2025 , Edited by admin on Wed Apr 02 20:52:52 GMT 2025
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167464330
Created by
admin on Wed Apr 02 20:52:52 GMT 2025 , Edited by admin on Wed Apr 02 20:52:52 GMT 2025
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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![Structure of (2S,3S)-1-Methyl-N-[2-[4-[4-[[4-[[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]carbamoyl]cyclohexyl]amino]-4-oxobutoxy]cyclohexyl]oxyethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3](/img/01eb24ab-4324-4c8c-8e4b-594f68e82740.svg "Structure of (2S,3S)-1-Methyl-N-[2-[4-[4-[[4-[[(1R,2S,5R)-5-[methyl(propan-2-yl)amino]-2-[(3S)-2-oxo-3-[[6-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-yl]cyclohexyl]carbamoyl]cyclohexyl]amino]-4-oxobutoxy]cyclohexyl]oxyethyl]-5-oxo-2-pyridin-3-ylpyrrolidine-3")