Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C45H63N13O12S2 |
Molecular Weight | 1042.192 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N2)C(=O)NCC(N)=O
InChI
InChIKey=MUNMIGOEDGHVLE-LGYYRGKSSA-N
InChI=1S/C45H63N13O12S2/c46-16-4-8-28(39(64)51-21-37(50)62)53-44(69)34-9-5-17-58(34)45(70)33-23-72-71-22-27(47)38(63)54-30(19-25-10-12-26(59)13-11-25)42(67)55-31(18-24-6-2-1-3-7-24)41(66)52-29(14-15-35(48)60)40(65)56-32(20-36(49)61)43(68)57-33/h1-3,6-7,10-13,27-34,59H,4-5,8-9,14-23,46-47H2,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,69)(H,54,63)(H,55,67)(H,56,65)(H,57,68)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
Molecular Formula | C45H63N13O12S2 |
Molecular Weight | 1042.192 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:39:55 UTC 2023
by
admin
on
Fri Dec 15 17:39:55 UTC 2023
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Record UNII |
1KTH6N080W
|
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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WHO-ATC |
H01BA05
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admin on Fri Dec 15 17:39:55 UTC 2023 , Edited by admin on Fri Dec 15 17:39:55 UTC 2023
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NCI_THESAURUS |
C80212
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admin on Fri Dec 15 17:39:55 UTC 2023 , Edited by admin on Fri Dec 15 17:39:55 UTC 2023
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WHO-VATC |
QH01BA05
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admin on Fri Dec 15 17:39:55 UTC 2023 , Edited by admin on Fri Dec 15 17:39:55 UTC 2023
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Code System | Code | Type | Description | ||
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14257660
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222-253-8
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m8238
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DTXSID101021593
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ORNIPRESSIN
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4679
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D009951
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C87774
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1KTH6N080W
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100000083348
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3397-23-7
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DB13464
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SUB09465MIG
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CHEMBL1819440
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2544
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7703
Created by
admin on Fri Dec 15 17:39:55 UTC 2023 , Edited by admin on Fri Dec 15 17:39:55 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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