DOTA-XYIMSR-01

cas: 2051527-54-7 — see every product listed under this CAS number, including other names

DOTA-XYIMSR-01 (CAS 2051527-54-7) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

(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.

Identity
Molecular formulaC61H88N16O22S2
Molecular weight1461.6 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
InChIKeyDMAXCXQYACQFKS-OLCJBLMYSA-N
SMILESCC(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

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