Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C58H110N16O28S5 |
Molecular Weight | 1639.909 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 13 / 13 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[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](CC(C)C)NC(=O)[C@H](CCNCS(O)(=O)=O)NC1=O)[C@@H](C)O
InChI
InChIKey=BSSIRFLGSWHWDE-LOFSPICBSA-N
InChI=1S/C58H110N16O28S5/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102)/t35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45+,47-,48-/m0/s1
Molecular Formula | C58H110N16O28S5 |
Molecular Weight | 1639.909 |
Charge | 0 |
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 15:42:02 GMT 2023
by
admin
on
Fri Dec 15 15:42:02 GMT 2023
|
Record UNII |
QCZ41WDH62
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English | ||
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Common Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C78160
Created by
admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
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Code System | Code | Type | Description | ||
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748069-57-0
Created by
admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
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C75973
Created by
admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
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66571289
Created by
admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
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QCZ41WDH62
Created by
admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
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PRIMARY | |||
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DTXSID50225781
Created by
admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
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ACTIVE MOIETY |