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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 2-cyclopropyl-10-hydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165315-06-0
InChIKey: KPGJRBXAFLIEOS-HNJBERQJSA-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, 2-cyclopropyl-10-hydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165315-06-0

System Generated Number

  • 0165315060

Structure Descriptors

InChI

1S/C39H50N6O5S2/c1-25(2)35(44-38(48)45(31-15-16-31)21-30-23-51-37(42-30)26(3)4)36(47)41-29(17-27-11-7-5-8-12-27)19-34(46)33(18-28-13-9-6-10-14-28)43-39(49)50-22-32-20-40-24-52-32/h5-14,20,23-26,29,31,33-35,46H,15-19,21-22H2,1-4H3,(H,41,47)(H,43,49)(H,44,48)/t29-,33-,34-,35-/m0/s1

InChIKey

KPGJRBXAFLIEOS-HNJBERQJSA-N

Smiles

CC(C)c1nc(cs1)CN(C2CC2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O