Products 2051527-54-7
CAS 2051527-54-7 is the registry number for DOTA-XYIMSR-01. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[4,4-bis(4-hydroxyphenyl)pentanoylamino]-4-[[(1S)-1-carboxy-3-oxo-3-[[(2S)-1-oxo-6-[4-[4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butyl]triazol-1-yl]-1-[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]hexan-2-yl]amino]propyl]amino]-4-oxobutanoic acid (CAS 2051527-54-7) is a chemical compound with the molecular formula C61H88N16O22S2 and a molecular weight of 1461.6 g/mol. IUPAC name: (2S)-2-[4,4-bis(4-hydroxyphenyl)pentanoylamino]-4-[[(1S)-1-carboxy-3-oxo-3-[[(2S)-1-oxo-6-[4-[4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butyl]triazol-1-yl]-1-[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]hexan-2-yl]amino]propyl]amino]-4-oxobutanoic acid. InChIKey: DMAXCXQYACQFKS-OLCJBLMYSA-N.
| Molecular formula | C61H88N16O22S2 |
|---|---|
| Molecular weight | 1461.6 g/mol |
| IUPAC name | (2S)-2-[4,4-bis(4-hydroxyphenyl)pentanoylamino]-4-[[(1S)-1-carboxy-3-oxo-3-[[(2S)-1-oxo-6-[4-[4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butyl]triazol-1-yl]-1-[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]hexan-2-yl]amino]propyl]amino]-4-oxobutanoic acid |
| InChIKey | DMAXCXQYACQFKS-OLCJBLMYSA-N |
| SMILES | CC(CCC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CCCCN1C=C(N=N1)CCCC(=O)NC2=NN=C(S2)S(=O)(=O)N)C(=O)NCCOCCOCCNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O)C(=O)O)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
Computed by PubChem (NCBI)
Synonyms:
orb3028605