Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C42H54N10O18S4 |
| Molecular Weight | 1115.194 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 6 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COCC1=C(N[C@H](SC1)[C@H](NC(=O)C(=N/OC)\C2=CSC(N)=N2)C(=O)NC3=NC(=CS3)C(=N\OC)\C(=O)N[C@H]4[C@H]5SCC(COC)=C(N5C4=O)C(=O)OC(C)OC(=O)OC(C)C)C(=O)OC(C)OC(=O)OC(C)C
InChI
InChIKey=JVMMKKXXPLMCPK-XHLZYGRDSA-N
InChI=1S/C42H54N10O18S4/c1-17(2)65-41(59)69-19(5)67-37(57)25-21(11-61-7)13-71-34(48-25)28(46-31(53)26(50-63-9)23-15-73-39(43)44-23)33(55)49-40-45-24(16-74-40)27(51-64-10)32(54)47-29-35(56)52-30(22(12-62-8)14-72-36(29)52)38(58)68-20(6)70-42(60)66-18(3)4/h15-20,28-29,34,36,48H,11-14H2,1-10H3,(H2,43,44)(H,46,53)(H,47,54)(H,45,49,55)/b50-26-,51-27-/t19?,20?,28-,29-,34-,36-/m1/s1
| Molecular Formula | C42H54N10O18S4 |
| Molecular Weight | 1115.194 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 6 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 12:18:37 GMT 2025
by
admin
on
Wed Apr 02 12:18:37 GMT 2025
|
| Record UNII |
5ASX8BNW7D
|
| 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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947692-16-2
Created by
admin on Wed Apr 02 12:18:37 GMT 2025 , Edited by admin on Wed Apr 02 12:18:37 GMT 2025
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5ASX8BNW7D
Created by
admin on Wed Apr 02 12:18:37 GMT 2025 , Edited by admin on Wed Apr 02 12:18:37 GMT 2025
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131667440
Created by
admin on Wed Apr 02 12:18:37 GMT 2025 , Edited by admin on Wed Apr 02 12:18:37 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|