PPACK

CAS Registry Number®

71142-71-7
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CAS Name

PPACK

Molecular Formula

C21H31ClN6O3

Molecular Mass

450.96

Cite this Page

PPACK.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=71142-71-7 (retrieved 2024-05-17) (CAS RN: 71142-71-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H31ClN6O3/c22-13-18(29)16(8-4-10-26-21(24)25)27-19(30)17-9-5-11-28(17)20(31)15(23)12-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13,23H2,(H,27,30)(H4,24,25,26)/t15-,16+,17+/m1/s1

InChIKey

InChIKey=KWPACVJPAFGBEQ-IKGGRYGDSA-N

SMILES

C(N[C@@H](CCCNC(=N)N)C(CCl)=O)(=O)[C@H]1N(C([C@@H](CC2=CC=CC=C2)N)=O)CCC1

Canonical SMILES

O=C(NC(C(=O)CCl)CCCNC(=N)N)C1N(C(=O)C(N)CC=2C=CC=CC2)CCC1

Other Names for this Substance

  • L-Prolinamide, D-phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-chloroacetyl)butyl]-
  • L-Prolinamide, D-phenylalanyl-N-[4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-, (S)-
  • L-Prolinamide, D-phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-
  • D-Phenylalanyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-chloroacetyl)butyl]-L-prolinamide
  • D-Phenylalanyl-L-prolyl-L-arginyl chloromethyl ketone

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Deleted or Replaced CAS Registry Numbers

123789-14-0, 194349-80-9

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