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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-oxazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165315-09-3
InChIKey: DDACVLFRWSSXOH-XGKFQTDJSA-N

Molecular Formula

  • C37-H48-N6-O6-S

Molecular Weight

  • 704.8882
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 165315-09-3

System Generated Number

  • 0165315093

Structure Descriptors

InChI

1S/C37H48N6O6S/c1-24(2)33(42-36(46)43(5)20-29-22-50-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-49-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

InChIKey

DDACVLFRWSSXOH-XGKFQTDJSA-N

Smiles

CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cnco4)O