Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C59H84N16O12.C2H4O2 |
Molecular Weight | 1269.4502 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=C3C=CC=C4)NC(=O)[C@H](CC5=CNC=N5)NC(=O)[C@@H]6CCC(=O)N6
InChI
InChIKey=RGLRXNKKBLIBQS-XNHQSDQCSA-N
InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t40-,41-,42-,43+,44-,45-,46-,47-,48-;/m0./s1
Molecular Formula | C2H4O2 |
Molecular Weight | 60.052 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C59H84N16O12 |
Molecular Weight | 1209.3983 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:01:05 UTC 2023
by
admin
on
Sat Dec 16 05:01:05 UTC 2023
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Record UNII |
37JNS02E7V
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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EU-Orphan Drug |
EU/3/16/1821
Created by
admin on Sat Dec 16 05:01:05 UTC 2023 , Edited by admin on Sat Dec 16 05:01:05 UTC 2023
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FDA ORPHAN DRUG |
28688
Created by
admin on Sat Dec 16 05:01:05 UTC 2023 , Edited by admin on Sat Dec 16 05:01:05 UTC 2023
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NCI_THESAURUS |
C1910
Created by
admin on Sat Dec 16 05:01:05 UTC 2023 , Edited by admin on Sat Dec 16 05:01:05 UTC 2023
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Code System | Code | Type | Description | ||
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203217
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PRIMARY | RxNorm | ||
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CHEMBL1201199
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37JNS02E7V
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SUB02900MIG
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DBSALT000105
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m6779
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admin on Sat Dec 16 05:01:05 UTC 2023 , Edited by admin on Sat Dec 16 05:01:05 UTC 2023
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PRIMARY | Merck Index | ||
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C1319
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100000091573
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88793-81-1
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admin on Sat Dec 16 05:01:05 UTC 2023 , Edited by admin on Sat Dec 16 05:01:05 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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DTXSID7049009
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37JNS02E7V
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657180
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63597
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74381-53-6
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1358503
Created by
admin on Sat Dec 16 05:01:05 UTC 2023 , Edited by admin on Sat Dec 16 05:01:05 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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TARGET -> AGONIST |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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NOAEL | PHARMACOKINETIC |
|