Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C49H68N18O9S2.3C2H4O2 |
| Molecular Weight | 1297.465 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CC(O)=O.C[C@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC1=O)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O
InChI
InChIKey=PILXXDANZBQUJH-AKVBKPKISA-N
InChI=1S/C49H68N18O9S2.3C2H4O2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52;3*1-2(3)4/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57);3*1H3,(H,3,4)/t26-,33+,34+,35-,36+,37+,38+,39+;;;/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 | C49H68N18O9S2 |
| Molecular Weight | 1117.309 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:05:16 UTC 2023
by
admin
on
Sat Dec 16 16:05:16 UTC 2023
|
| Record UNII |
224I1W20I7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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224I1W20I7
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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PRIMARY | |||
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1504602-49-6
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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2469248
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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PRIMARY | |||
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155491122
Created by
admin on Sat Dec 16 16:05:16 UTC 2023 , Edited by admin on Sat Dec 16 16:05:16 UTC 2023
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PRIMARY | PUBCHEM |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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