Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C82H103ClN18O16.C2H4O2 |
Molecular Weight | 1692.311 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.[H][C@]1(CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC3=CC=C(NC(=O)[C@@H]4CC(=O)NC(=O)N4)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(Cl)C=C6)NC(=O)[C@@H](CC7=CC=C8C=CC=CC8=C7)NC(C)=O)C(=O)N[C@H](C)C(N)=O
InChI
InChIKey=AUTFSFUMNFDPLH-KYMMNHPFSA-N
InChI=1S/C82H103ClN18O16.C2H4O2/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52;1-2(3)4/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117);1H3,(H,3,4)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+;/m1./s1
Molecular Formula | C2H4O2 |
Molecular Weight | 60.052 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C82H103ClN18O16 |
Molecular Weight | 1632.259 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 21:00:01 UTC 2023
by
admin
on
Fri Dec 15 21:00:01 UTC 2023
|
Record UNII |
EXT215F4ZU
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID201027699
Created by
admin on Fri Dec 15 21:00:01 UTC 2023 , Edited by admin on Fri Dec 15 21:00:01 UTC 2023
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934016-19-0
Created by
admin on Fri Dec 15 21:00:01 UTC 2023 , Edited by admin on Fri Dec 15 21:00:01 UTC 2023
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16144848
Created by
admin on Fri Dec 15 21:00:01 UTC 2023 , Edited by admin on Fri Dec 15 21:00:01 UTC 2023
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EXT215F4ZU
Created by
admin on Fri Dec 15 21:00:01 UTC 2023 , Edited by admin on Fri Dec 15 21:00:01 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |
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