Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C56H98N16O13.H2O4S |
| Molecular Weight | 1301.5585 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCC[C@@H](C)CC)([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](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)CC)[C@@H](C)O
InChI
InChIKey=CTVJDEFGPKKPRM-SZTJRUDOSA-N
InChI=1S/C56H98N16O13.H2O4S/c1-7-31(3)14-12-13-17-43(75)63-36(18-24-57)51(80)72-46(34(6)74)56(85)68-39(21-27-60)48(77)66-41-23-29-62-54(83)45(33(5)73)71-52(81)40(22-28-61)65-47(76)38(20-26-59)67-55(84)44(32(4)8-2)70-53(82)42(30-35-15-10-9-11-16-35)69-49(78)37(19-25-58)64-50(41)79;1-5(2,3)4/h9-11,15-16,31-34,36-42,44-46,73-74H,7-8,12-14,17-30,57-61H2,1-6H3,(H,62,83)(H,63,75)(H,64,79)(H,65,76)(H,66,77)(H,67,84)(H,68,85)(H,69,78)(H,70,82)(H,71,81)(H,72,80);(H2,1,2,3,4)/t31-,32-,33+,34+,36-,37-,38-,39-,40-,41-,42+,44-,45-,46-;/m0./s1
| Molecular Formula | C56H98N16O13 |
| Molecular Weight | 1203.4789 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 14 / 14 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.0796 |
| 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
Mon Mar 31 23:20:09 GMT 2025
by
admin
on
Mon Mar 31 23:20:09 GMT 2025
|
| Record UNII |
LIG3BD6XHU
|
| Record Status |
FAILED
|
| Record Version |
|
-
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LIG3BD6XHU
Created by
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133082291
Created by
admin on Mon Mar 31 23:20:09 GMT 2025 , Edited by admin on Mon Mar 31 23:20:09 GMT 2025
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