Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C46H56N12O6.3C2H4O2 |
| Molecular Weight | 1053.1695 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(O)=O.CC(O)=O.C[C@H](NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@@H](N)CC3=CN=CN3)C(=O)N[C@@H](CC4=CNC5=C4C=CC=C5)C(=O)N[C@H](CC6=CC=CC=C6)C(=O)N[C@@H](CCCCN)C(N)=O
InChI
InChIKey=XGWOPQAMQAZCJE-SLBOMMQWSA-N
InChI=1S/C46H56N12O6.3C2H4O2/c1-27(54-44(62)39(20-29-23-51-35-15-7-5-13-32(29)35)57-43(61)34(48)22-31-25-50-26-53-31)42(60)56-40(21-30-24-52-36-16-8-6-14-33(30)36)46(64)58-38(19-28-11-3-2-4-12-28)45(63)55-37(41(49)59)17-9-10-18-47;3*1-2(3)4/h2-8,11-16,23-27,34,37-40,51-52H,9-10,17-22,47-48H2,1H3,(H2,49,59)(H,50,53)(H,54,62)(H,55,63)(H,56,60)(H,57,61)(H,58,64);3*1H3,(H,3,4)/t27-,34-,37-,38+,39+,40-;;;/m0.../s1
| Molecular Formula | C46H56N12O6 |
| Molecular Weight | 873.0136 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:50:24 UTC 2023
by
admin
on
Fri Dec 15 15:50:24 UTC 2023
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| Record UNII |
USP2MY0E7I
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| Record Status |
Validated (UNII)
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| Record Version |
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72941687
Created by
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145177-42-0
Created by
admin on Fri Dec 15 15:50:24 UTC 2023 , Edited by admin on Fri Dec 15 15:50:24 UTC 2023
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USP2MY0E7I
Created by
admin on Fri Dec 15 15:50:24 UTC 2023 , Edited by admin on Fri Dec 15 15:50:24 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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