Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C45H69N17O14S2 |
| Molecular Weight | 1136.265 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C[C@@H]2NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(N)=O)NC(C)=O)C=C1
InChI
InChIKey=RRPUNOOJZOAZNU-ALERXTORSA-N
InChI=1S/C45H69N17O14S2/c1-22(63)55-31-21-78-77-20-30(36(47)68)61-38(70)26(7-4-14-53-45(50)51)57-39(71)27(16-23-9-11-24(76-2)12-10-23)59-40(72)28(18-35(66)67)56-34(65)19-54-37(69)25(6-3-13-52-44(48)49)58-42(74)32-8-5-15-62(32)43(75)29(17-33(46)64)60-41(31)73/h9-12,25-32H,3-8,13-21H2,1-2H3,(H2,46,64)(H2,47,68)(H,54,69)(H,55,63)(H,56,65)(H,57,71)(H,58,74)(H,59,72)(H,60,73)(H,61,70)(H,66,67)(H4,48,49,52)(H4,50,51,53)/t25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
| Molecular Formula | C45H69N17O14S2 |
| Molecular Weight | 1136.265 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:11:24 GMT 2025
by
admin
on
Mon Mar 31 18:11:24 GMT 2025
|
| Record UNII |
82SQF2EUDU
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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138297-15-1
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6918252
Created by
admin on Mon Mar 31 18:11:24 GMT 2025 , Edited by admin on Mon Mar 31 18:11:24 GMT 2025
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82SQF2EUDU
Created by
admin on Mon Mar 31 18:11:24 GMT 2025 , Edited by admin on Mon Mar 31 18:11:24 GMT 2025
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PRIMARY |