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Substance Name: Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tryptophan)-, methyl ester
RN: 91291-35-9
InChIKey: OBRHZWCYAVPXND-AJUYTZQHSA-N

Molecular Formula

  • C44-H64-N6-O10

Molecular Weight

  • 837.0216
 
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Names and Synonyms

Results Name

  • Pepstatin A, 1-(N-((phenylmethoxy)carbonyl)-L-tryptophan)-, methyl ester

Synonyms

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

Systematic Name

  • L-Valinamide, N-((phenylmethoxy)carbonyl)-L-tryptophyl-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

  • 91291-35-9

System Generated Number

  • 0091291359

Structure Descriptors

InChI

1S/C44H64N6O10/c1-25(2)18-33(36(51)21-38(53)46-28(7)41(55)47-34(19-26(3)4)37(52)22-39(54)59-8)48-43(57)40(27(5)6)50-42(56)35(20-30-23-45-32-17-13-12-16-31(30)32)49-44(58)60-24-29-14-10-9-11-15-29/h9-17,23,25-28,33-37,40,45,51-52H,18-22,24H2,1-8H3,(H,46,53)(H,47,55)(H,48,57)(H,49,58)(H,50,56)/t28-,33-,34-,35-,36-,37-,40-/m0/s1

InChIKey

OBRHZWCYAVPXND-AJUYTZQHSA-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](Cc1c[nH]c2c1cccc2)NC(=O)OCc3ccccc3)O