Name: dTAG-Biotin
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HIT ID:HIT218678249
Cas No:
Common Name:dTAG-Biotin
alias:d-TAG-Biotin, dTAG Biotin
IUPAC:(1R)-1-(2-{[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
IUPAC:(1R)-1-(2-{[(2-{2-[2-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]methoxy}phenyl)-3-(3,4-dimethoxyphenyl)propyl (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate
InChI key:ZUFVYPUCFFRQTG-ZFJGIIHNSA-N

Molecular Formula:C56H79N5O15S
Molecular Weight:1094.33
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cc(OC)c(OC)c(OC)c1
SMILES:CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1cc(OC)c(OC)c(OC)c1

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