Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C48H73N11O10S.3C2H4O2 |
| Molecular Weight | 1176.382 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CC(O)=O.CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCCCCCCCCN
InChI
InChIKey=SQMYCWHGGFDQSL-ZRJVJLHYSA-N
InChI=1S/C48H73N11O10S.3C2H4O2/c1-70(68,69)27-23-36(51)43(62)55-38(21-22-42(60)61)46(65)59-41(30-35-31-52-32-54-35)48(67)58-40(29-34-18-10-7-11-19-34)47(66)56-37(20-12-14-25-50)45(64)57-39(28-33-16-8-6-9-17-33)44(63)53-26-15-5-3-2-4-13-24-49;3*1-2(3)4/h6-11,16-19,31-32,36-41H,2-5,12-15,20-30,49-51H2,1H3,(H,52,54)(H,53,63)(H,55,62)(H,56,66)(H,57,64)(H,58,67)(H,59,65)(H,60,61);3*1H3,(H,3,4)/t36-,37+,38-,39-,40-,41-;;;/m0.../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 | C48H73N11O10S |
| Molecular Weight | 996.226 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:24:18 UTC 2023
by
admin
on
Fri Dec 15 16:24:18 UTC 2023
|
| Record UNII |
S4QA804W04
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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115994-46-2
Created by
admin on Fri Dec 15 16:24:18 UTC 2023 , Edited by admin on Fri Dec 15 16:24:18 UTC 2023
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PRIMARY | |||
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6918102
Created by
admin on Fri Dec 15 16:24:18 UTC 2023 , Edited by admin on Fri Dec 15 16:24:18 UTC 2023
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PRIMARY | |||
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S4QA804W04
Created by
admin on Fri Dec 15 16:24:18 UTC 2023 , Edited by admin on Fri Dec 15 16:24:18 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |