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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-cyclopropyl-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: 165315-24-2
InChIKey: SGKISNUYKPQMNU-XGKFQTDJSA-N

Molecular Formula

  • C37-H46-N6-O5-S2

Molecular Weight

  • 718.9394
 
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Names and Synonyms

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

  • 165315-24-2

System Generated Number

  • 0165315242

Structure Descriptors

InChI

1S/C37H46N6O5S2/c1-24(2)33(42-36(46)43(3)20-29-22-49-35(40-29)27-14-15-27)34(45)39-28(16-25-10-6-4-7-11-25)18-32(44)31(17-26-12-8-5-9-13-26)41-37(47)48-21-30-19-38-23-50-30/h4-13,19,22-24,27-28,31-33,44H,14-18,20-21H2,1-3H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

InChIKey

SGKISNUYKPQMNU-XGKFQTDJSA-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)C5CC5