Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C65H87N17O16.C2H4O2 |
| Molecular Weight | 1422.5425 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.COC1=CC(C[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(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N7CCC[C@H]7C(=O)NCC(N)=O)=CC(OC)=C1OC
InChI
InChIKey=KKOIHWYOLORPLI-OQPFYVBKSA-N
InChI=1S/C65H87N17O16.C2H4O2/c1-34(2)22-44(57(88)75-43(12-8-20-70-65(67)68)64(95)82-21-9-13-50(82)63(94)72-31-53(66)85)76-59(90)46(24-36-25-51(96-3)55(98-5)52(26-36)97-4)77-58(89)45(23-35-14-16-39(84)17-15-35)78-62(93)49(32-83)81-60(91)47(27-37-29-71-41-11-7-6-10-40(37)41)79-61(92)48(28-38-30-69-33-73-38)80-56(87)42-18-19-54(86)74-42;1-2(3)4/h6-7,10-11,14-17,25-26,29-30,33-34,42-50,71,83-84H,8-9,12-13,18-24,27-28,31-32H2,1-5H3,(H2,66,85)(H,69,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,89)(H,78,93)(H,79,92)(H,80,87)(H,81,91)(H4,67,68,70);1H3,(H,3,4)/t42-,43-,44-,45-,46+,47-,48-,49-,50-;/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 | C65H87N17O16 |
| Molecular Weight | 1362.4906 |
| 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 08:05:37 GMT 2023
by
admin
on
Sat Dec 16 08:05:37 GMT 2023
|
| Record UNII |
4TS30VD527
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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82317-93-9
Created by
admin on Sat Dec 16 08:05:37 GMT 2023 , Edited by admin on Sat Dec 16 08:05:37 GMT 2023
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PRIMARY | |||
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91809043
Created by
admin on Sat Dec 16 08:05:37 GMT 2023 , Edited by admin on Sat Dec 16 08:05:37 GMT 2023
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PRIMARY | |||
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4TS30VD527
Created by
admin on Sat Dec 16 08:05:37 GMT 2023 , Edited by admin on Sat Dec 16 08:05:37 GMT 2023
|
PRIMARY |