Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C61H103N16O28S5.5Na |
Molecular Weight | 1783.835 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O
InChI
InChIKey=GXMOCTQLEDNRQA-UFPYYTPWSA-I
InChI=1S/C61H108N16O28S5.5Na/c1-7-37(4)13-11-12-16-49(80)68-41(17-23-62-31-106(91,92)93)56(85)77-51(39(6)79)61(90)73-44(20-26-65-34-109(100,101)102)53(82)71-46-22-28-67-60(89)50(38(5)78)76-57(86)45(21-27-66-35-110(103,104)105)70-52(81)42(18-24-63-32-107(94,95)96)72-58(87)47(29-36(2)3)74-59(88)48(30-40-14-9-8-10-15-40)75-55(84)43(69-54(46)83)19-25-64-33-108(97,98)99;;;;;/h8-10,14-15,36-39,41-48,50-51,62-66,78-79H,7,11-13,16-35H2,1-6H3,(H,67,89)(H,68,80)(H,69,83)(H,70,81)(H,71,82)(H,72,87)(H,73,90)(H,74,88)(H,75,84)(H,76,86)(H,77,85)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)(H,103,104,105);;;;;/q;5*+1/p-5/t37-,38+,39+,41-,42-,43-,44-,45-,46-,47-,48+,50-,51-;;;;;/m0...../s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C61H103N16O28S5 |
Molecular Weight | 1668.886 |
Charge | -5 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 22:06:21 GMT 2023
by
admin
on
Fri Dec 15 22:06:21 GMT 2023
|
Record UNII |
KM14Q3V559
|
Record Status |
Validated (UNII)
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Record Version |
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-
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KM14Q3V559
Created by
admin on Fri Dec 15 22:06:21 GMT 2023 , Edited by admin on Fri Dec 15 22:06:21 GMT 2023
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76962796
Created by
admin on Fri Dec 15 22:06:21 GMT 2023 , Edited by admin on Fri Dec 15 22:06:21 GMT 2023
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PRIMARY |