Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C64H83N17O12.C2H4O2.H2O |
| Molecular Weight | 1360.5178 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC(O)=O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](CCCNC(N)=N)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=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8
InChI
InChIKey=PHZUFGUPXXDBKX-OLDJNJOLSA-N
InChI=1S/C64H83N17O12.C2H4O2.H2O/c1-4-68-62(92)53-16-10-24-81(53)63(93)51(25-35(2)3)79-58(88)48(27-37-30-70-43-13-7-5-11-41(37)43)76-55(85)45(15-9-23-69-64(65)66)74-57(87)47(26-36-17-19-40(83)20-18-36)75-61(91)52(33-82)80-59(89)49(28-38-31-71-44-14-8-6-12-42(38)44)77-60(90)50(29-39-32-67-34-72-39)78-56(86)46-21-22-54(84)73-46;1-2(3)4;/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,87)(H,75,91)(H,76,85)(H,77,90)(H,78,86)(H,79,88)(H,80,89)(H4,65,66,69);1H3,(H,3,4);1H2/t45-,46+,47+,48+,49+,50+,51+,52+,53+;;/m1../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 | C64H83N17O12 |
| Molecular Weight | 1282.4505 |
| 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 07:42:55 GMT 2023
by
admin
on
Sat Dec 16 07:42:55 GMT 2023
|
| Record UNII |
66KW0E903I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C1910
Created by
admin on Sat Dec 16 07:42:55 GMT 2023 , Edited by admin on Sat Dec 16 07:42:55 GMT 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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66KW0E903I
Created by
admin on Sat Dec 16 07:42:55 GMT 2023 , Edited by admin on Sat Dec 16 07:42:55 GMT 2023
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PRIMARY | |||
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139032894
Created by
admin on Sat Dec 16 07:42:55 GMT 2023 , Edited by admin on Sat Dec 16 07:42:55 GMT 2023
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PRIMARY | |||
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C97491
Created by
admin on Sat Dec 16 07:42:55 GMT 2023 , Edited by admin on Sat Dec 16 07:42:55 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |