Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C58H74N6O31S3 |
Molecular Weight | 1447.425 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]8(O[C@@H]1[C@H](C[C@H](C[C@H]1O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2OC(=O)C4=CC=CC=C4)C(=O)NCCNC(=O)COCCOCC(=O)NC5=CC(=CC6=CC(=CC(=C56)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC(=O)C7=CC(=O)NC(=O)N7)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O
InChI
InChIKey=VXBNTHRZPJLRSS-PTCSXESPSA-N
InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1
Molecular Formula | C58H74N6O31S3 |
Molecular Weight | 1447.425 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 07:57:14 UTC 2023
by
admin
on
Sat Dec 16 07:57:14 UTC 2023
|
Record UNII |
4B115V09LB
|
Record Status |
Validated (UNII)
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Record Version |
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-
Download
Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English |
Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
274608
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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EU-Orphan Drug |
EU/3/13/1184
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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NCI_THESAURUS |
C78275
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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Code System | Code | Type | Description | ||
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DTXSID90239140
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PRIMARY | |||
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SUB179891
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admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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9776
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admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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DB12778
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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PRIMARY | |||
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4B115V09LB
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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PRIMARY | |||
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927881-99-0
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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ZZ-162
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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CHEMBL2364630
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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100000166027
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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PRIMARY | |||
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C102786
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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PRIMARY | |||
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44232546
Created by
admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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