Benzyl (3S)-5-Chloro-3-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)-4-Oxopentanoate

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Properties Simple | Detailed

Formula C17H22ClNO5
IUPAC Name benzyl (3s)-3-(tert-butoxycarbonylamino)-5-chloro-4-oxo-pentanoate
Molecular Mass 355.813 g·mol−1
Heat of Formation -963.5 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 423.94 Å 3
Surface Area 339.53 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(tert-butoxycarbonylamino)-5-chloro-4-keto-valeric acid benzyl ester
  • (3s)-3-[(tert-butoxy-oxomethyl)amino]-5-chloro-4-oxopentanoic acid phenylmethyl ester
  • phenylmethyl (3s)-3-(tert-butoxycarbonylamino)-5-chloro-4-oxo-pentanoate
  • phenylmethyl (3s)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-pentanoate
  • phenylmethyl (3s)-5-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
InChIKey BKSBJYSNALKVEA-ZDUSSCGKSA-N
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Elements H C N O Cl