Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C44H49N9O11S.2Na |
| Molecular Weight | 957.958 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](CC4=CNC5=CC=CC=C45)NC1=O)C6=CC=CS6
InChI
InChIKey=QIBLMEZRKOPSMJ-OKENEAAASA-L
InChI=1S/C44H51N9O11S.2Na/c1-2-9-29-39(59)47-30(20-25-24-45-28-13-7-6-12-27(25)28)40(60)49-32(22-36(55)56)42(62)48-31(21-35(54)53-17-15-52(16-18-53)26-10-4-3-5-11-26)41(61)50-33(23-37(57)58)43(63)51-38(44(64)46-29)34-14-8-19-65-34;;/h3-8,10-14,19,24,29-33,38,45H,2,9,15-18,20-23H2,1H3,(H,46,64)(H,47,59)(H,48,62)(H,49,60)(H,50,61)(H,51,63)(H,55,56)(H,57,58);;/q;2*+1/p-2/t29-,30+,31-,32+,33-,38+;;/m0../s1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C44H49N9O11S |
| Molecular Weight | 911.979 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:12:17 GMT 2023
by
admin
on
Sat Dec 16 20:12:17 GMT 2023
|
| Record UNII |
2M7AWG7TXE
|
| Record Status |
Validated (UNII)
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| Record Version |
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123882
Created by
admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
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157380-72-8
Created by
admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
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PRIMARY | |||
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2M7AWG7TXE
Created by
admin on Sat Dec 16 20:12:17 GMT 2023 , Edited by admin on Sat Dec 16 20:12:17 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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