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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-oxazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165315-29-7
InChIKey: QSZJUKVVXSQWND-WQMHXLODSA-N

Molecular Formula

  • C35-H44-N6-O6-S

Molecular Weight

  • 676.8346
 
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Names and Synonyms

  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-oxazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165315-29-7

System Generated Number

  • 0165315297

Structure Descriptors

InChI

1S/C35H44N6O6S/c1-23(2)33-39-28(20-46-33)19-41(4)34(44)37-24(3)32(43)38-27(15-25-11-7-5-8-12-25)17-31(42)30(16-26-13-9-6-10-14-26)40-35(45)47-21-29-18-36-22-48-29/h5-14,18,20,22-24,27,30-31,42H,15-17,19,21H2,1-4H3,(H,37,44)(H,38,43)(H,40,45)/t24-,27-,30-,31-/m0/s1

InChIKey

QSZJUKVVXSQWND-WQMHXLODSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)N(C)Cc4coc(n4)C(C)C