Name: Glu-urea-Glu-NHS ester
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HIT ID:HIT218832708
Cas No:
Common Name:Glu-urea-Glu-NHS ester
IUPAC:1-tert-butyl 2,5-dioxopyrrolidin-1-yl 2-({[1,5-bis(tert-butoxy)-1,5-dioxopentan-2-yl]carbamoyl}amino)pentanedioate
IUPAC:1-tert-butyl 2,5-dioxopyrrolidin-1-yl 2-({[1,5-bis(tert-butoxy)-1,5-dioxopentan-2-yl]carbamoyl}amino)pentanedioate
InChIKey:RLHXPXLWGMDVAY-UHFFFAOYSA-N

Molecular Formula:C27H43N3O11
Molecular Weight:585.651
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC(C)(C)OC(=O)CCC(NC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
SMILES:CC(C)(C)OC(=O)CCC(NC(=O)NC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Compound 21, Glu-urea-Glu-NHS ester, an activated N-hydroxysuccinamide (NHS) ester derivative of Glu-urea-Glu, serves as a pharmacophore for conjugation to prostate specific membrane antigen (PSMA) inhibitors ^[1].

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