Molecules/Maraciclatide TC-99M

Maraciclatide TC-99M

2-[(1R,4S,10R,13S,16R,19S,25S)-10-[2-[2-[2-[2-[[2-(2-amino-2-oxoethoxy)acetyl]amino]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-13-benzyl-25-[3-(diaminomethylideneamino)propyl]-4-[4-[[5-[[5-[(3-hydroxyimino-2-methylbutan-2-yl)amino]-3-[2-[(3-hydroxyimino-2-methylbutan-2-yl)amino]ethyl]pentyl]amino]-5-oxopentanoyl]amino]butyl]-3,6,12,15,18,21,24,27-octaoxo-8,29,30-trithia-2,5,11,14,17,20,23,26-octazabicyclo[14.11.4]hentriacontan-19-yl]acetic acid;technetium-99

C72H120N20O21S3Tc1797.00 g/molCID 139033082

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Molecular Identity

Maraciclatide TC-99M

PubChem CID: 139033082

2D Structure

Properties

C₇₂H₁₂₀N₂₀O₂₁S₃Tc

Molecular Formula

1797.00

Molecular Weight

g/mol

1795.7162

Exact Mass

696

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

3210

Complexity

SMILES

Canonical SMILES

SMILES: CC(=NO)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCCC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(CSCC(=O)N1)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)N)CC3=CC=CC=C3)NC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCN=C(N)N)CC(=O)O)CCNC(C)(C)C(=NO)C.[Tc]

Isomeric SMILES

SMILES: CC(=NO)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CSCC(=O)N1)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)N)CC3=CC=CC=C3)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCN=C(N)N)CC(=O)O)CCNC(C)(C)C(=NO)C.[99Tc]

Synonyms(7)

maraciclatide tc-99mTC99M-maraciclatideH0X34CV8RR99Mtc-NC100692NC100692 TC-99MRefChem:201586Q27279422

Data from PubChem (NCBI)

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Molecular Structure

Maraciclatide TC-99M

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Source: PubChem

Drug Network

Trials and conditions connected to Maraciclatide TC-99M

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