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Substance Name: 2,5,10,13-Tetraazatetradecanedioic acid, 7,7-difluoro-3,12-bis(1-methylethyl)-4,8,11-trioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, (3S-(3R*,6R*,9R*,12R*))-
RN: 133038-85-4
InChIKey: YNCPFORRBHVPKK-ZQWQDMLBSA-N

Molecular Formula

  • C44-H50-F2-N4-O7

Molecular Weight

  • 784.896
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 133038-85-4

System Generated Number

  • 0133038854

Structure Descriptors

InChI

1S/C44H50F2N4O7/c1-29(2)37(49-42(54)56-27-33-21-13-7-14-22-33)40(52)47-35(25-31-17-9-5-10-18-31)39(51)44(45,46)36(26-32-19-11-6-12-20-32)48-41(53)38(30(3)4)50-43(55)57-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)/t35-,36-,37-,38-/m0/s1

InChIKey

YNCPFORRBHVPKK-ZQWQDMLBSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)(F)F)NC(=O)OCc4ccccc4