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.CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([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.CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([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 | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:28:51 GMT 2025
by
admin
on
Mon Mar 31 18:28:51 GMT 2025
|
| Record UNII |
EYA30S145R
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Preferred Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C78160
Created by
admin on Mon Mar 31 18:28:51 GMT 2025 , Edited by admin on Mon Mar 31 18:28:51 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C75978
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admin on Mon Mar 31 18:28:51 GMT 2025 , Edited by admin on Mon Mar 31 18:28:51 GMT 2025
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PRIMARY | |||
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46224602
Created by
admin on Mon Mar 31 18:28:51 GMT 2025 , Edited by admin on Mon Mar 31 18:28:51 GMT 2025
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PRIMARY | |||
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EYA30S145R
Created by
admin on Mon Mar 31 18:28:51 GMT 2025 , Edited by admin on Mon Mar 31 18:28:51 GMT 2025
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PRIMARY | |||
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59675
Created by
admin on Mon Mar 31 18:28:51 GMT 2025 , Edited by admin on Mon Mar 31 18:28:51 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |