+++SciFinder or Reaxys (Many Thanks mishka!!)

[menelimenele]

Hi,

dear colleagues, please help me find all the possible complexes of this organic compound.
Also please help me find all possible modifications of this ligands.

DOTA:
O=C(O)CN1CCN(CCN(CCN(CC(=O)O)CC1)CC(=O)O)CC(=O)O

TETA
O=C(O)CN1CCCN(CCCN(CCCN(CC(=O)O)CCC1)CC(=O)O)CC(=O)O

Thanks in advance!

[mishka]

Reaxys
при субструктурном поиске по органическому фрагменту и с любым металлом
для 1 найдено 434 hits. (скачать не получается - комп подвисает)

для 2 найдено три структуры (2.pdf)

[menelimenele]

Thank You very much. So I'm interested in complexes DOTA with Re, Os, Ir and all 3d transitions metals especially Mn, Zn

[mishka]

Os and Ir no hits in reaxys

Zn, Mn see pdf

Re only PubChem

Chemical Name:
(4S)-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-4-[[(2R)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid;oxygen(2-);rhenium;2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

PubChem Compound ID: 25090003
Molecular Formula: C78H119N25O22ReS3
Linear Structure Formula: C78H119N25O22ReS3-2
Molecular Weight: 2041.33576
InChI Key: MNLASEBTOACXJB-RSNYELIOSA-N

[menelimenele]

many Thanks Mishka!!!