Janus-DOTA

cas: 160037-48-9 — see every product listed under this CAS number, including other names

Janus-DOTA (CAS 160037-48-9) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas160037-48-9
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Structural formula: {0} (CAS {1})

2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[4-[2-oxo-2-[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]anilino]ethyl]sulfanylbutylsulfanyl]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 160037-48-9) is a chemical compound with the molecular formula C54H80N10O18S2 and a molecular weight of 1221.4 g/mol. IUPAC name: 2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[4-[2-oxo-2-[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]anilino]ethyl]sulfanylbutylsulfanyl]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: DKONDHNAERRXQL-UHFFFAOYSA-N.

Identity
Molecular formulaC54H80N10O18S2
Molecular weight1221.4 g/mol
IUPAC name2-[4,7,10-tris(carboxymethyl)-6-[[4-[[2-[4-[2-oxo-2-[4-[[1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]anilino]ethyl]sulfanylbutylsulfanyl]acetyl]amino]phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyDKONDHNAERRXQL-UHFFFAOYSA-N
SMILESC1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)NC(=O)CSCCCCSCC(=O)NC3=CC=C(C=C3)CC4CN(CCN(CCN(CCN4CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: orb3177892

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