L-Tyrosyl-N-({[(2S)-4-Chloro-3-Oxo-1-Phenyl-2-Butanyl](Methyl)Amino}Acetyl)-D-Alaninamide

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Properties Simple | Detailed

Formula C25H31ClN4O5
IUPAC Name (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-1-benzyl-3-chloro-2-oxo-propyl]-methyl-amino]acetyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide
Molecular Mass 502.990 g·mol−1
Heat of Formation -763.0 ± 16.7 kJ·mol−1
Dipole Moment 1.51 ± 1.08 D
Volume 619.3 Å 3
Surface Area 463.22 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.11 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-1-(benzyl)-3-chloro-2-keto-propyl]-methyl-amino]acetyl]amino]-2-keto-1-methyl-ethyl]-3-(4-hydroxyphenyl)propionamide
  • (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-methyl-amino]acetyl]amino]-1-methyl-2-oxo-ethyl]-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-amino-n-[(1r)-2-[[2-[[(1s)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-methylamino]-1-oxoethyl]amino]-1-methyl-2-oxoethyl]-3-(4-hydroxyphenyl)propanamide
  • (2s)-2-amino-n-[(2r)-1-[2-[[(2s)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-methyl-amino]ethanoylamino]-1-oxo-propan-2-yl]-3-(4-hydroxyphenyl)propanamide
  • damck
  • damk
  • glycinamide, l-tyrosyl-d-alanyl-n-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-n-methyl-, (s)-
  • tyr-ala-gly-mephe chloromethyl ketone
  • tyr-ala-gly-mephe-cmk
  • tyr-ala-gly-n(alpha)-mephe-chloromethyl ketone
  • tyrosyl-alanyl-glycyl-methylphenylalanyl chloromethyl ketone
  • tyrosyl-alanyl-glycyl-n(alpha)-methylphenylalanine chloromethyl ketone
CAS Number(s)
  • 109377-04-0
InChIKey LYYBTOIPJYEMFB-CZAAIQMYSA-N
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Elements H C N O Cl