Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C86H138N22O18.C2H4O2.Cu |
Molecular Weight | 1892.1342 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[64Cu++].CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](CC1=CNC=N1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)N[C@]56CNCCNC[C@](C)(CNCCNC5)C[N-]CC[N-]C6)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O
InChI
InChIKey=SNORHCPYZZDCCX-MGCZUMEBSA-N
InChI=1S/C86H138N22O18.C2H4O2.Cu/c1-55(2)39-65(70(109)44-75(114)101-66(78(88)116)40-56(3)4)105-83(121)69(43-61-46-95-54-99-61)103-76(115)47-98-84(122)77(57(5)6)107-79(117)58(7)100-81(119)68(42-60-45-97-63-18-13-12-17-62(60)63)106-80(118)64(21-22-71(87)110)104-82(120)67(41-59-15-10-9-11-16-59)102-73(112)23-31-123-33-35-125-37-38-126-36-34-124-32-30-96-72(111)19-14-20-74(113)108-86-51-92-27-24-89-48-85(8,49-90-25-28-93-52-86)50-91-26-29-94-53-86;1-2(3)4;/h9-13,15-18,45-46,54-58,64-70,77,89-90,92-93,97,109H,14,19-44,47-53H2,1-8H3,(H2,87,110)(H2,88,116)(H,95,99)(H,96,111)(H,98,122)(H,100,119)(H,101,114)(H,102,112)(H,103,115)(H,104,120)(H,105,121)(H,106,118)(H,107,117)(H,108,113);1H3,(H,3,4);/q-2;;+2/t58-,64-,65-,66-,67+,68-,69-,70-,77-,85-,86-;;/m0../s1/i;;1+0
Molecular Formula | Cu |
Molecular Weight | 63.9298 |
Charge | 2 |
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 | C86H138N22O18 |
Molecular Weight | 1768.1525 |
Charge | -2 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 11 / 11 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:44:36 GMT 2023
by
admin
on
Sat Dec 16 18:44:36 GMT 2023
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Record UNII |
3JUS3LHV6E
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Record Status |
Validated (UNII)
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Record Version |
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-
Download
Name | Type | Language | ||
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Code | English |
Code System | Code | Type | Description | ||
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3JUS3LHV6E
Created by
admin on Sat Dec 16 18:44:36 GMT 2023 , Edited by admin on Sat Dec 16 18:44:36 GMT 2023
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