Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C60H101N16O28S5.5Na |
Molecular Weight | 1769.808 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 12 / 12 |
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)CCCCC(C)C)([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=OOLDJFQTMLCKKV-FSCFFGGESA-I
InChI=1S/C60H106N16O28S5.5Na/c1-35(2)12-10-11-15-48(79)67-40(16-22-61-30-105(90,91)92)55(84)76-50(38(6)78)60(89)72-43(19-25-64-33-108(99,100)101)52(81)70-45-21-27-66-59(88)49(37(5)77)75-56(85)44(20-26-65-34-109(102,103)104)69-51(80)41(17-23-62-31-106(93,94)95)71-57(86)46(28-36(3)4)73-58(87)47(29-39-13-8-7-9-14-39)74-54(83)42(68-53(45)82)18-24-63-32-107(96,97)98;;;;;/h7-9,13-14,35-38,40-47,49-50,61-65,77-78H,10-12,15-34H2,1-6H3,(H,66,88)(H,67,79)(H,68,82)(H,69,80)(H,70,81)(H,71,86)(H,72,89)(H,73,87)(H,74,83)(H,75,85)(H,76,84)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104);;;;;/q;5*+1/p-5/t37-,38-,40+,41+,42+,43+,44+,45+,46+,47-,49+,50+;;;;;/m1...../s1
Molecular Formula | C60H101N16O28S5 |
Molecular Weight | 1654.859 |
Charge | -5 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 12 / 12 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 20:10:28 GMT 2023
by
admin
on
Fri Dec 15 20:10:28 GMT 2023
|
Record UNII |
A5QPV2IK70
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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A5QPV2IK70
Created by
admin on Fri Dec 15 20:10:28 GMT 2023 , Edited by admin on Fri Dec 15 20:10:28 GMT 2023
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76959982
Created by
admin on Fri Dec 15 20:10:28 GMT 2023 , Edited by admin on Fri Dec 15 20:10:28 GMT 2023
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |