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2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis((6-methyl-2-pyridinyl)methyl) ester, (3S-(3R*,6R*,9R*,12R*))-

HCID 464751
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Basic information

CAS
144163-15-5
Standard SMILES
Cc1cccc(COC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)C(F)(F)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2cccc(C)n2)C(C)C)C(C)C)n1
InChIKey
VXCLVVRZHNCBSS-ZQWQDMLBSA-N
Molecular formula
C44H52F2N6O7
Average molar mass
814.931 g/mol
Monoisotopic mass
814.38655444

Names & identifiers

Preferred name
2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis((6-methyl-2-pyridinyl)methyl) ester, (3S-(3R*,6R*,9R*,12R*))-
IUPAC
Bis[(6-methylpyridin-2-yl)methyl] ([(2S,5S)-3,3-difluoro-4-oxo-1,6-diphenylhexane-2,5-diyl]bis{azanediyl[(2S)-3-methyl-1-oxobutane-1,2-diyl]})biscarbamate

Database identifiers

CAS
144163-15-5
PubChem CID
464751
DTXSID
DTXSID80162630

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