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](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6)C(C)(C)C
InChI
InChIKey=VDPSUXHTLGLWQB-AWTPQUGLSA-N
InChI=1S/C59H84N16O12.C2H4O2/c1-7-63-55(85)46-15-11-23-75(46)57(87)40(14-10-22-64-58(60)61)68-50(80)41(24-32(2)3)72-56(86)48(59(4,5)6)74-53(83)42(25-33-16-18-36(77)19-17-33)69-54(84)45(30-76)73-51(81)43(26-34-28-65-38-13-9-8-12-37(34)38)70-52(82)44(27-35-29-62-31-66-35)71-49(79)39-20-21-47(78)67-39;1-2(3)4/h8-9,12-13,16-19,28-29,31-32,39-46,48,65,76-77H,7,10-11,14-15,20-27,30H2,1-6H3,(H,62,66)(H,63,85)(H,67,78)(H,68,80)(H,69,84)(H,70,82)(H,71,79)(H,72,86)(H,73,81)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t39-,40-,41-,42-,43-,44-,45-,46-,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 | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:54:05 GMT 2023
by
admin
on
Sat Dec 16 18:54:05 GMT 2023
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| Record UNII |
LDU4EA3ZM8
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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LDU4EA3ZM8
Created by
admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023
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91971816
Created by
admin on Sat Dec 16 18:54:06 GMT 2023 , Edited by admin on Sat Dec 16 18:54:06 GMT 2023
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PRIMARY |
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