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Substance Name: L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tyrosyl-N-(2-hydroxy-4-((2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-1-(2-methylpropyl)-4-oxobutyl)-, stereoisomer
RN: 91291-36-0
InChIKey: UHKQQGQTVTZNSN-VGXZEHLRSA-N

Molecular Formula

  • C42-H63-N5-O11

Molecular Weight

  • 813.9837
 
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Names and Synonyms

Synonyms

  • Cbz-Tyr-Val-Sta-Ala-Sta-OMe
  • Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tyrosine)-, methyl ester

Systematic Name

  • L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tyrosyl-N-(2-hydroxy-4-((2-((2-hydroxy-4-methoxy-1-(2-methylpropyl)-4-oxobutyl)amino)-1-methyl-2-oxoethyl)amino)-1-(2-methylpropyl)-4-oxobutyl)-, stereoisomer

Registry Numbers

CAS Registry Number

  • 91291-36-0

System Generated Number

  • 0091291360

Structure Descriptors

InChI

1S/C42H63N5O11/c1-24(2)18-31(34(49)21-36(51)43-27(7)39(53)44-32(19-25(3)4)35(50)22-37(52)57-8)45-41(55)38(26(5)6)47-40(54)33(20-28-14-16-30(48)17-15-28)46-42(56)58-23-29-12-10-9-11-13-29/h9-17,24-27,31-35,38,48-50H,18-23H2,1-8H3,(H,43,51)(H,44,53)(H,45,55)(H,46,56)(H,47,54)/t27-,31-,32-,33-,34-,35-,38-/m0/s1

InChIKey

UHKQQGQTVTZNSN-VGXZEHLRSA-N

Smiles

C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)OC)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc2ccccc2)O