D-Tyrosyl-N-{(3S)-1-Chloro-6-[(Diaminomethylene)Amino]-2-Oxo-3-Hexanyl}-L-Prolinamide

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Properties Simple | Detailed

Formula C21H31ClN6O4
IUPAC Name (2s)-1-[(2r)-2-amino-3-(4-hydroxyphenyl)propanoyl]-n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide
Molecular Mass 466.962 g·mol−1
Heat of Formation -664.0 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 569.61 Å 3
Surface Area 458.96 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2r)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-n-[(1s)-1-(2-chloro-1-oxoethyl)-4-guanidinobutyl]-2-pyrrolidinecarboxamide
  • (2s)-1-[(2r)-2-amino-3-(4-hydroxyphenyl)propanoyl]-n-[(1s)-1-(2-chloroacetyl)-4-guanidino-butyl]pyrrolidine-2-carboxamide
  • (2s)-1-[(2r)-2-amino-3-(4-hydroxyphenyl)propanoyl]-n-[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxo-hexan-3-yl]pyrrolidine-2-carboxamide
  • d-tyr-pro-arg-chloromethyl ketone
  • l-prolinamide, d-tyrosyl-n-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (s)-
  • tyrosyl-prolyl-arginyl chloromethyl ketone
  • yprck
CAS Number(s)
  • 98833-79-5
InChIKey YHBCRLLVTTVQMA-IKGGRYGDSA-N
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