Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C52H98N16O13.5H2O4S |
Molecular Weight | 2801.26 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 24 / 24 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]2CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC2=O)[C@@H](C)O
InChI
InChIKey=ARWLUFSLVSQRNF-WQZLNJOZSA-N
InChI=1S/2C52H98N16O13.5H2O4S/c2*1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75;5*1-5(2,3)4/h2*27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76);5*(H2,1,2,3,4)/t2*30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+;;;;;/m11...../s1
Molecular Formula | C52H98N16O13 |
Molecular Weight | 1155.4339 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 12 / 12 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
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
Fri Dec 15 16:28:16 GMT 2023
by
admin
on
Fri Dec 15 16:28:16 GMT 2023
|
Record UNII |
EYA30S145R
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C78160
Created by
admin on Fri Dec 15 16:28:16 GMT 2023 , Edited by admin on Fri Dec 15 16:28:16 GMT 2023
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Code System | Code | Type | Description | ||
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C75978
Created by
admin on Fri Dec 15 16:28:16 GMT 2023 , Edited by admin on Fri Dec 15 16:28:16 GMT 2023
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PRIMARY | |||
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46224602
Created by
admin on Fri Dec 15 16:28:16 GMT 2023 , Edited by admin on Fri Dec 15 16:28:16 GMT 2023
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PRIMARY | |||
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EYA30S145R
Created by
admin on Fri Dec 15 16:28:16 GMT 2023 , Edited by admin on Fri Dec 15 16:28:16 GMT 2023
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PRIMARY | |||
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59675
Created by
admin on Fri Dec 15 16:28:16 GMT 2023 , Edited by admin on Fri Dec 15 16:28:16 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |