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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-cyclopentyl-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165315-31-1
InChIKey: KWLKDVDZWAUETH-RONNFESSSA-N

Molecular Formula

  • C39-H50-N6-O5-S2

Molecular Weight

  • 746.993
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 165315-31-1

System Generated Number

  • 0165315311

Structure Descriptors

InChI

1S/C39H50N6O5S2/c1-26(2)35(44-38(48)45(3)22-31-24-51-37(42-31)29-16-10-11-17-29)36(47)41-30(18-27-12-6-4-7-13-27)20-34(46)33(19-28-14-8-5-9-15-28)43-39(49)50-23-32-21-40-25-52-32/h4-9,12-15,21,24-26,29-30,33-35,46H,10-11,16-20,22-23H2,1-3H3,(H,41,47)(H,43,49)(H,44,48)/t30-,33-,34-,35-/m0/s1

InChIKey

KWLKDVDZWAUETH-RONNFESSSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)N(C)Cc4csc(n4)C5CCCC5