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Substance Name: 2,3,5,8,13-Pentaazatetradecanedioic acid, 11-hydroxy-6-(1-methylethyl)-3-((2-(1-methylethyl)-4-thiazolyl)methyl)-4,7-dioxo-9,12-bis(phenylmethyl)-, 1-(1,1-dimethylethyl) 14-(5-thiazolylmethyl) ester, (6S-(6R*,9R*,11R*,12R*))-
RN: 165315-35-5
InChIKey: NZUSTOPOZPROGL-RONNFESSSA-N

Molecular Formula

  • C41-H55-N7-O7-S2

Molecular Weight

  • 822.0595
 
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Names and Synonyms

  • 2,3,5,8,13-Pentaazatetradecanedioic acid, 11-hydroxy-6-(1-methylethyl)-3-((2-(1-methylethyl)-4-thiazolyl)methyl)-4,7-dioxo-9,12-bis(phenylmethyl)-, 1-(1,1-dimethylethyl) 14-(5-thiazolylmethyl) ester, (6S-(6R*,9R*,11R*,12R*))-

Registry Numbers

CAS Registry Number

  • 165315-35-5

System Generated Number

  • 0165315355

Structure Descriptors

InChI

1S/C41H55N7O7S2/c1-26(2)35(46-38(51)48(47-40(53)55-41(5,6)7)22-31-24-56-37(44-31)27(3)4)36(50)43-30(18-28-14-10-8-11-15-28)20-34(49)33(19-29-16-12-9-13-17-29)45-39(52)54-23-32-21-42-25-57-32/h8-17,21,24-27,30,33-35,49H,18-20,22-23H2,1-7H3,(H,43,50)(H,45,52)(H,46,51)(H,47,53)/t30-,33-,34-,35-/m0/s1

InChIKey

NZUSTOPOZPROGL-RONNFESSSA-N

Smiles

CC(C)c1nc(cs1)CN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O)NC(=O)OC(C)(C)C