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Substance Name: L-threo-Pentonamide, 2,4,5-trideoxy-N-(2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)-4-C-(4-hydroxyphenyl)-4-((N-(N-((phenylmethoxy)carbonyl)-L-tyrosyl)-L-valyl)amino)-, (1S-(1R*(R*),2R*))-
RN: 145031-51-2
InChIKey: TYCRLOOVFOQWTA-VMDKVOEYSA-N

Molecular Formula

  • C45-H61-N5-O12

Molecular Weight

  • 863.9999
 
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Names and Synonyms

Synonyms

  • Cbz-Tyr-Val-(Tyr)Sta-Ala-Sta-OMe
  • Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tyrosine)-3-(4-amino-2,4,5-trideoxy-4-C-(4-hydroxyphenyl)-L-threo-pentonic acid)-, methyl ester

Systematic Name

  • L-threo-Pentonamide, 2,4,5-trideoxy-N-(2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)-4-C-(4-hydroxyphenyl)-4-((N-(N-((phenylmethoxy)carbonyl)-L-tyrosyl)-L-valyl)amino)-, (1S-(1R*(R*),2R*))-

Registry Numbers

CAS Registry Number

  • 145031-51-2

System Generated Number

  • 0145031512

Structure Descriptors

InChI

1S/C45H61N5O12/c1-26(2)20-34(38(54)24-40(56)61-6)47-42(57)28(5)46-39(55)23-37(53)35(21-29-12-16-32(51)17-13-29)48-44(59)41(27(3)4)50-43(58)36(22-30-14-18-33(52)19-15-30)49-45(60)62-25-31-10-8-7-9-11-31/h7-19,26-28,34-38,41,51-54H,20-25H2,1-6H3,(H,46,55)(H,47,57)(H,48,59)(H,49,60)(H,50,58)/t28-,34?,35-,36-,37-,38-,41-/m0/s1

InChIKey

TYCRLOOVFOQWTA-VMDKVOEYSA-N

Smiles

C[C@@H](C(=O)NC(CC(C)C)[C@H](CC(=O)OC)O)NC(=O)C[C@@H]([C@H](Cc1ccc(cc1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O