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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-
RN: 165315-14-0
InChIKey: IBTJZDRNPNNZIO-UYDQTSAYSA-N

Molecular Formula

  • C38-H50-N6-O5-S2

Molecular Weight

  • 734.982
 
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Names and Synonyms

  • 2,4,7,12-Tetraazatridecan-13-oic acid, 9-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-methyl-5-thiazolyl)methyl ester, (5S-(5R*,8R*,9R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165315-14-0

System Generated Number

  • 0165315140

Structure Descriptors

InChI

1S/C38H50N6O5S2/c1-24(2)34(43-37(47)44(6)21-30-23-50-36(40-30)25(3)4)35(46)42-32(18-28-15-11-8-12-16-28)33(45)19-29(17-27-13-9-7-10-14-27)41-38(48)49-22-31-20-39-26(5)51-31/h7-16,20,23-25,29,32-34,45H,17-19,21-22H2,1-6H3,(H,41,48)(H,42,46)(H,43,47)/t29-,32-,33-,34-/m0/s1

InChIKey

IBTJZDRNPNNZIO-UYDQTSAYSA-N

Smiles

Cc1ncc(s1)COC(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc4csc(n4)C(C)C)O