Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C63H87N13O19S2 |
Molecular Weight | 1394.571 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)[C@@H](C)O
InChI
InChIKey=CNLWNYCFDMAZCB-HUVROIHYSA-N
InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1
Molecular Formula | C63H87N13O19S2 |
Molecular Weight | 1394.571 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:38:51 UTC 2023
by
admin
on
Fri Dec 15 15:38:51 UTC 2023
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Record UNII |
G083B71P98
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C62799
Created by
admin on Fri Dec 15 15:38:51 UTC 2023 , Edited by admin on Fri Dec 15 15:38:51 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL2108757
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C071632
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SUB09691MIG
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DTXSID001027431
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m8508
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admin on Fri Dec 15 15:38:51 UTC 2023 , Edited by admin on Fri Dec 15 15:38:51 UTC 2023
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PRIMARY | Merck Index | ||
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138661-02-6
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6875
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72128
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69893
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admin on Fri Dec 15 15:38:51 UTC 2023 , Edited by admin on Fri Dec 15 15:38:51 UTC 2023
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DB12602
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C66342
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G083B71P98
Created by
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100000082512
Created by
admin on Fri Dec 15 15:38:51 UTC 2023 , Edited by admin on Fri Dec 15 15:38:51 UTC 2023
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