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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((6-methyl-2-pyridinyl)methyl) ester, (3S-(3R*,6R*,9R*,12R*))-
RN: 144163-15-5
InChIKey: VXCLVVRZHNCBSS-ZQWQDMLBSA-N

Molecular Formula

  • C44-H52-F2-N6-O7

Molecular Weight

  • 814.9258
 
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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((6-methyl-2-pyridinyl)methyl) ester, (3S-(3R*,6R*,9R*,12R*))-

Registry Numbers

CAS Registry Number

  • 144163-15-5

System Generated Number

  • 0144163155

Structure Descriptors

InChI

1S/C44H52F2N6O7/c1-27(2)37(51-42(56)58-25-33-21-13-15-29(5)47-33)40(54)49-35(23-31-17-9-7-10-18-31)39(53)44(45,46)36(24-32-19-11-8-12-20-32)50-41(55)38(28(3)4)52-43(57)59-26-34-22-14-16-30(6)48-34/h7-22,27-28,35-38H,23-26H2,1-6H3,(H,49,54)(H,50,55)(H,51,56)(H,52,57)/t35-,36-,37-,38-/m0/s1

InChIKey

VXCLVVRZHNCBSS-ZQWQDMLBSA-N

Smiles

Cc1cccc(n1)COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)C([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OCc4cccc(n4)C)(F)F