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Substance Name: Phenylalanyl-valyl-phenylalanyl-psi(methylamino)leucyl-glutamyl-isoleucineamide
RN: 152017-02-2
InChIKey: HOWQLLQUJPNZDI-LWVFPSBSSA-N

Note

  • Used to determine crystal structure of HIV-2 protease.

Molecular Formula

  • C40-H61-N7-O7

Molecular Weight

  • 751.9639
 
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Names and Synonyms

Name of Substance

  • Phenylalanyl-valyl-phenylalanyl-psi(methylamino)leucyl-glutamyl-isoleucineamide

Synonyms

  • BI-LA-398
  • L-Phenylalanyl-L-valyl-L-phenylalanyl-psi-(CH2-NH)-L-leucyl-L-alpha-glutamyl-L-isoleucinamide
  • Phe-val-phe-psi(Ch2NH)-leu-glu-ile amide

Systematic Names

  • L-Isoleucinamide, L-phenylalanyl-L-valyl-L-phenylalanyl-psi-(CH2-NH)-L-leucyl-L-alpha-glutamyl-
  • L-Isoleucinamide, N-(3-phenyl-2-((N-L-phenylalanyl-L-valyl)amino)propyl)-L-leucyl-L-alpha-glutanyl-, (S)-

Registry Numbers

CAS Registry Number

  • 152017-02-2

System Generated Number

  • 0152017022

Structure Descriptors

InChI

1S/C40H61N7O7/c1-7-26(6)35(36(42)50)43-23-29(18-19-33(48)49)44-38(52)31(20-24(2)3)45-39(53)32(22-28-16-12-9-13-17-28)46-40(54)34(25(4)5)47-37(51)30(41)21-27-14-10-8-11-15-27/h8-17,24-26,29-32,34-35,43H,7,18-23,41H2,1-6H3,(H2,42,50)(H,44,52)(H,45,53)(H,46,54)(H,47,51)(H,48,49)/t26-,29-,30-,31-,32-,34-,35-/m0/s1

InChIKey

HOWQLLQUJPNZDI-LWVFPSBSSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N)NC[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)N