Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C60H79IN14O14.Y |
Molecular Weight | 1437.1663 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
Stereo Comments | PENTIXATHER structure based on LUTETIUM (177LU) PENTIXATHER reference |
SHOW SMILES / InChI
SMILES
[90Y].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=CC=C5C=CC=CC5=C4)C(=O)NCC(=O)N[C@H](CC6=CC(I)=C(O)C=C6)C1=O
InChI
InChIKey=PYCUJMPONQSCOF-RZPZBEGWSA-N
InChI=1S/C60H79IN14O14.Y/c1-71-48(9-5-18-64-55(85)42-15-10-38(11-16-42)32-66-51(78)34-72-20-22-73(35-52(79)80)24-26-75(37-54(83)84)27-25-74(23-21-72)36-53(81)82)58(88)69-45(8-4-19-65-60(62)63)57(87)70-46(30-39-12-14-41-6-2-3-7-43(41)28-39)56(86)67-33-50(77)68-47(59(71)89)31-40-13-17-49(76)44(61)29-40;/h2-3,6-7,10-17,28-29,45-48,76H,4-5,8-9,18-27,30-37H2,1H3,(H,64,85)(H,66,78)(H,67,86)(H,68,77)(H,69,88)(H,70,87)(H,79,80)(H,81,82)(H,83,84)(H4,62,63,65);/t45-,46-,47+,48+;/m0./s1/i;1+1
Molecular Formula | C60H79IN14O14 |
Molecular Weight | 1347.2591 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Y |
Molecular Weight | 89.9072 |
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
Sat Dec 16 18:15:38 GMT 2023
by
admin
on
Sat Dec 16 18:15:38 GMT 2023
|
Record UNII |
9VHD7AKB5F
|
Record Status |
Validated (UNII)
|
Record Version |
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-
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9VHD7AKB5F
Created by
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2356354-85-1
Created by
admin on Sat Dec 16 18:15:38 GMT 2023 , Edited by admin on Sat Dec 16 18:15:38 GMT 2023
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PRIMARY |