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Substance Name: 2-Oxa-4,7,12-triazatridecan-13-oic acid, 1-(2-(dimethylamino)-4-thiazolyl)-10-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165314-99-8
InChIKey: RBRJJAOGROXFPG-LKZKAFSPSA-N

Molecular Formula

  • C35-H44-N6-O6-S2

Molecular Weight

  • 708.9006
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 165314-99-8

System Generated Number

  • 0165314998

Structure Descriptors

InChI

1S/C35H44N6O6S2/c1-23(2)31(40-35(45)46-19-27-21-48-33(38-27)41(3)4)32(43)37-26(15-24-11-7-5-8-12-24)17-30(42)29(16-25-13-9-6-10-14-25)39-34(44)47-20-28-18-36-22-49-28/h5-14,18,21-23,26,29-31,42H,15-17,19-20H2,1-4H3,(H,37,43)(H,39,44)(H,40,45)/t26-,29-,30-,31-/m0/s1

InChIKey

RBRJJAOGROXFPG-LKZKAFSPSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)OCc4csc(n4)N(C)C