Benzyl [(2S)-1-{[(2S)-4-Chloro-3-Oxo-2-Butanyl]Amino}-1-Oxo-2-Propanyl]Carbamate

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Properties Simple | Detailed

Formula C15H19ClN2O4
IUPAC Name benzyl n-[(1s)-2-[[(1s)-3-chloro-1-methyl-2-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 326.775 g·mol−1
Heat of Formation -687.1 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 383.36 Å 3
Surface Area 355.73 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • benzyloxycarbonyl-ala-ala-chloromethyl ketone
  • benzyloxycarbonylalanyl-alanine chloromethyl ketone
  • boc-ala-ala-cmk
  • carbamic acid, (2-((3-chloro-1-methyl-2-oxopropyl)amino)-1-methyl-2-oxoethyl)-, phenylmethyl ester, (s-(r*,r*))-
  • n-[(1s)-2-[[(1s)-3-chloro-1-methyl-2-oxopropyl]amino]-1-methyl-2-oxoethyl]carbamic acid phenylmethyl ester
  • n-[(1s)-2-[[(1s)-3-chloro-2-keto-1-methyl-propyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester
  • phenylmethyl n-[(1s)-2-[[(1s)-3-chloro-1-methyl-2-oxo-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
  • phenylmethyl n-[(2s)-1-[[(2s)-4-chloro-3-oxo-butan-2-yl]amino]-1-oxo-propan-2-yl]carbamate
  • z-ala-ala-chloromethyl ketone
CAS Number(s)
  • 51166-66-6
InChIKey VRFYYHMAJJSYOD-QWRGUYRKSA-N
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Elements H C N O Cl