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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-cyclobutyl-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: 165315-25-3
InChIKey: VEQSNAHUMJGIOG-UYDQTSAYSA-N

Molecular Formula

  • C38-H48-N6-O5-S2

Molecular Weight

  • 732.9662
 
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Names and Synonyms

  • 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-cyclobutyl-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

  • 165315-25-3

System Generated Number

  • 0165315253

Structure Descriptors

InChI

1S/C38H48N6O5S2/c1-25(2)34(43-37(47)44(3)21-30-23-50-36(41-30)28-15-10-16-28)35(46)40-29(17-26-11-6-4-7-12-26)19-33(45)32(18-27-13-8-5-9-14-27)42-38(48)49-22-31-20-39-24-51-31/h4-9,11-14,20,23-25,28-29,32-34,45H,10,15-19,21-22H2,1-3H3,(H,40,46)(H,42,48)(H,43,47)/t29-,32-,33-,34-/m0/s1

InChIKey

VEQSNAHUMJGIOG-UYDQTSAYSA-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)C5CCC5