Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C69H85ClN16O13 |
Molecular Weight | 1381.966 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CNC5=C4C=CC=C5)NC(=O)[C@@H](CC6=CC=C(Cl)C=C6)NC(=O)[C@@H]7C=CCN7C(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N8CCC[C@H]8C(=O)NCC(N)=O
InChI
InChIKey=RLANJWSCJJGOMB-FZANJEFGSA-N
InChI=1S/C69H85ClN16O13/c1-38(2)29-51(60(91)78-50(15-8-26-74-69(72)73)68(99)86-28-10-16-57(86)66(97)77-36-59(71)90)79-63(94)54(32-42-34-75-48-13-6-4-11-46(42)48)81-61(92)52(31-41-20-24-45(89)25-21-41)80-65(96)56(37-87)84-64(95)55(33-43-35-76-49-14-7-5-12-47(43)49)82-62(93)53(30-40-18-22-44(70)23-19-40)83-67(98)58-17-9-27-85(58)39(3)88/h4-7,9,11-14,17-25,34-35,38,50-58,75-76,87,89H,8,10,15-16,26-33,36-37H2,1-3H3,(H2,71,90)(H,77,97)(H,78,91)(H,79,94)(H,80,96)(H,81,92)(H,82,93)(H,83,98)(H,84,95)(H4,72,73,74)/t50-,51-,52-,53+,54+,55+,56-,57-,58-/m0/s1
Molecular Formula | C69H85ClN16O13 |
Molecular Weight | 1381.966 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 9 / 9 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:31:56 GMT 2023
by
admin
on
Sat Dec 16 08:31:56 GMT 2023
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Record UNII |
Q34868D5WX
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Q34868D5WX
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DTXSID60230104
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admin on Sat Dec 16 08:31:56 GMT 2023 , Edited by admin on Sat Dec 16 08:31:56 GMT 2023
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25078132
Created by
admin on Sat Dec 16 08:31:56 GMT 2023 , Edited by admin on Sat Dec 16 08:31:56 GMT 2023
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