Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C69H88N16O12.C2H4O2 |
Molecular Weight | 1393.589 |
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(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CC7=CNC=N7)NC(=O)[C@@H]8CCC(=O)N8
InChI
InChIKey=JOUFFQKIWRSLQU-IWMYBUNZSA-N
InChI=1S/C69H88N16O12.C2H4O2/c1-4-73-67(96)58-22-14-30-85(58)68(97)51(21-13-29-74-69(70)71)78-61(90)52(31-40(2)3)79-65(94)56(35-48(42-15-7-5-8-16-42)43-17-9-6-10-18-43)83-62(91)53(32-41-23-25-46(87)26-24-41)80-66(95)57(38-86)84-63(92)54(33-44-36-75-49-20-12-11-19-47(44)49)81-64(93)55(34-45-37-72-39-76-45)82-60(89)50-27-28-59(88)77-50;1-2(3)4/h5-12,15-20,23-26,36-37,39-40,48,50-58,75,86-87H,4,13-14,21-22,27-35,38H2,1-3H3,(H,72,76)(H,73,96)(H,77,88)(H,78,90)(H,79,94)(H,80,95)(H,81,93)(H,82,89)(H,83,91)(H,84,92)(H4,70,71,74);1H3,(H,3,4)/t50-,51-,52-,53-,54-,55-,56+,57-,58-;/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 | C69H88N16O12 |
Molecular Weight | 1333.537 |
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 08:22:58 GMT 2023
by
admin
on
Sat Dec 16 08:22:58 GMT 2023
|
Record UNII |
N43E92P09H
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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82318-10-3
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N43E92P09H
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25081005
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admin on Sat Dec 16 08:22:58 GMT 2023 , Edited by admin on Sat Dec 16 08:22:58 GMT 2023
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DTXSID60231696
Created by
admin on Sat Dec 16 08:22:58 GMT 2023 , Edited by admin on Sat Dec 16 08:22:58 GMT 2023
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PRIMARY |