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
[H][C@@](NC(=O)C(=N/OC)\C1=CSC(N)=N1)(C(=O)NC2=NC(=CS2)C(=N\OC)\C(=O)N[C@@H]3C(=O)N4C(C(=O)OC(C)OC(=O)OC(C)C)=C(COC)CS[C@]34[H])[C@]5([H])NC(C(=O)OC(C)OC(=O)OC(C)C)=C(COC)CS5
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
Approval Year
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Code System | Code | Type | Description | ||
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947692-16-2
Created by
admin on Sat Dec 16 18:48:06 GMT 2023 , Edited by admin on Sat Dec 16 18:48:06 GMT 2023
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PRIMARY | |||
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5ASX8BNW7D
Created by
admin on Sat Dec 16 18:48:06 GMT 2023 , Edited by admin on Sat Dec 16 18:48:06 GMT 2023
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PRIMARY | |||
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131667440
Created by
admin on Sat Dec 16 18:48:06 GMT 2023 , Edited by admin on Sat Dec 16 18:48:06 GMT 2023
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PRIMARY |
SUBSTANCE RECORD