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Substance Name: Thiazol-5-ylmethyl N-((1S,2S,4S)-1-benzyl-2-hydroxy-4-(((2S)-2-((hydroxy-((2-isopropylthiazol-4-yl)methyl)carbamoyl)amino)-3-methyl-butanoyl)amino)-5-phenyl-pentyl)carbamate
RN: 190649-37-7
UNII: 534ZWA0OMR
InChIKey: VRECTSFAJINQSP-QJANCWQKSA-N

Molecular Formula

  • C36-H46-N6-O6-S2

Molecular Weight

  • 722.9274
 
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Names and Synonyms

Name of Substance

  • Thiazol-5-ylmethyl N-((1S,2S,4S)-1-benzyl-2-hydroxy-4-(((2S)-2-((hydroxy-((2-isopropylthiazol-4-yl)methyl)carbamoyl)amino)-3-methyl-butanoyl)amino)-5-phenyl-pentyl)carbamate

Synonyms

  • 2,4,7,12-Tetraazatridecan-13-oic acid, 2,10-dihydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
  • 2,7,10,12-Tetraazatridecanoic acid, 4,12-dihydroxy-9-(1-methylethyl)-13-(2-(1-methylethyl)-4-thiazolyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
  • Ritonavir metabolite M3
  • Thiazol-5-ylmethyl N-((1S,2S,4S)-1-benzyl-2-hydroxy-4-(((2S)-2-((hydroxy-((2-isopropylthiazol-4-yl)methyl)carbamoyl)amino)-3-methyl-butanoyl)amino)-5-phenyl-pentyl)carbamate
  • UNII-534ZWA0OMR

Registry Numbers

CAS Registry Number

  • 190649-37-7

FDA UNII

  • 534ZWA0OMR

System Generated Number

  • 0190649377

Structure Descriptors

InChI

1S/C36H46N6O6S2/c1-23(2)32(41-35(45)42(47)19-28-21-49-34(39-28)24(3)4)33(44)38-27(15-25-11-7-5-8-12-25)17-31(43)30(16-26-13-9-6-10-14-26)40-36(46)48-20-29-18-37-22-50-29/h5-14,18,21-24,27,30-32,43,47H,15-17,19-20H2,1-4H3,(H,38,44)(H,40,46)(H,41,45)/t27-,30-,31-,32-/m0/s1

InChIKey

VRECTSFAJINQSP-QJANCWQKSA-N

Smiles

CC(C)c1nc(cs1)CN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O)O