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Substance Name: 2-Oxa-4,7,12-triazatridecan-13-oic acid, 1-(2-(dimethylamino)-4-thiazolyl)-9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,6R*,7R*,9R*))-
RN: 165315-00-4
InChIKey: KEFSTLFADWTTTE-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)-9-hydroxy-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,6R*,7R*,9R*))-

Registry Numbers

CAS Registry Number

  • 165315-00-4

System Generated Number

  • 0165315004

Structure Descriptors

InChI

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

InChIKey

KEFSTLFADWTTTE-LKZKAFSPSA-N

Smiles

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