Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C60H77N14O14.Ga |
| Molecular Weight | 1286.2668 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[68Ga+3].CN1[C@H](CCCNC(=O)C2=CC=C(CNC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C=C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC4=CC5=C(C=CC=C5)C=C4)C(=O)NCC(=O)N[C@H](CC6=CC=C(O)C=C6)C1=O
InChI
InChIKey=CUSSKFGZGIXQLJ-PTCLTSPUSA-K
InChI=1S/C60H80N14O14.Ga/c1-70-49(9-5-20-63-55(84)43-16-10-40(11-17-43)33-65-51(77)35-71-22-24-72(36-52(78)79)26-28-74(38-54(82)83)29-27-73(25-23-71)37-53(80)81)58(87)68-46(8-4-21-64-60(61)62)57(86)69-47(32-41-12-15-42-6-2-3-7-44(42)30-41)56(85)66-34-50(76)67-48(59(70)88)31-39-13-18-45(75)19-14-39;/h2-3,6-7,10-19,30,46-49,75H,4-5,8-9,20-29,31-38H2,1H3,(H,63,84)(H,65,77)(H,66,85)(H,67,76)(H,68,87)(H,69,86)(H,78,79)(H,80,81)(H,82,83)(H4,61,62,64);/q;+3/p-3/t46-,47-,48+,49+;/m0./s1/i;1-2
Approval Year
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| Code System | Code | Type | Description | ||
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2356354-82-8
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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NO STRUCTURE GIVEN | |||
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100000182479
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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1345698-96-5
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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11950
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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C141632
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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133082710
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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Y92N1ZLI87
Created by
admin on Tue Apr 01 22:44:09 GMT 2025 , Edited by admin on Tue Apr 01 22:44:09 GMT 2025
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD