Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C72H120N20O21S3 |
| Molecular Weight | 1698.04 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=NO)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@H](NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)CCNC(C)(C)C(C)=NO
InChI
InChIKey=OTOMOKKNHNZSBB-ZHQNANIESA-N
InChI=1S/C72H120N20O21S3/c1-45(91-108)71(3,4)82-26-21-47(22-27-83-72(5,6)46(2)92-109)20-25-77-58(95)19-12-18-57(94)76-23-11-10-16-50-65(103)89-54-42-115-116-43-55(90-67(105)52(37-62(99)100)85-59(96)38-81-63(101)49(86-68(54)106)17-13-24-80-70(74)75)69(107)87-51(36-48-14-8-7-9-15-48)66(104)88-53(41-114-44-61(98)84-50)64(102)79-29-31-111-33-35-112-34-32-110-30-28-78-60(97)40-113-39-56(73)93/h7-9,14-15,47,49-55,82-83,108-109H,10-13,16-44H2,1-6H3,(H2,73,93)(H,76,94)(H,77,95)(H,78,97)(H,79,102)(H,81,101)(H,84,98)(H,85,96)(H,86,106)(H,87,107)(H,88,104)(H,89,103)(H,90,105)(H,99,100)(H4,74,75,80)/b91-45+,92-46+/t49-,50-,51-,52-,53-,54-,55-/m0/s1
| Molecular Formula | C72H120N20O21S3 |
| Molecular Weight | 1698.04 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 7 / 7 |
| E/Z Centers | 6 |
| Optical Activity | UNSPECIFIED |
Maraciclatide (NC100692 or diamine dioxime-Lys-Cys-Arg-Gly-Asp-Cyc-Phe-Cys-polyethylene glycol) is a cyclic peptide that contains an RGD tripeptide sequence held in a specific conformation by a disulphide and one thioether bridge. The ε-amino group of the lysine residue serves as an attachment point for the technetium chelator and the C-terminal end modified with a short polyethylene glycol unit. Cyclic RGD peptides such as this have a high affinity towards vitronectin receptors. Maraciclatide radiolabelled with technetium 99m (99mTc) is being developed as an in vivo diagnostic marker of vitronectin integrin receptor expression.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:53:42 GMT 2023
by
admin
on
Sat Dec 16 17:53:42 GMT 2023
|
| Record UNII |
N9A1HIM7BA
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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WW-111
Created by
admin on Sat Dec 16 17:53:42 GMT 2023 , Edited by admin on Sat Dec 16 17:53:42 GMT 2023
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N9A1HIM7BA
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admin on Sat Dec 16 17:53:42 GMT 2023 , Edited by admin on Sat Dec 16 17:53:42 GMT 2023
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CHEMBL2104974
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admin on Sat Dec 16 17:53:42 GMT 2023 , Edited by admin on Sat Dec 16 17:53:42 GMT 2023
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C174751
Created by
admin on Sat Dec 16 17:53:42 GMT 2023 , Edited by admin on Sat Dec 16 17:53:42 GMT 2023
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9328
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admin on Sat Dec 16 17:53:42 GMT 2023 , Edited by admin on Sat Dec 16 17:53:42 GMT 2023
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73050806
Created by
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489427-17-0
Created by
admin on Sat Dec 16 17:53:42 GMT 2023 , Edited by admin on Sat Dec 16 17:53:42 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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