N-{[(2S,3S)-3-(Ethoxycarbonyl)-2-Oxiranyl]Carbonyl}-L-Isoleucyl-L-Proline

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Formula C17H26N2O7
IUPAC Name (2s)-1-[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
Molecular Mass 370.398 g·mol−1
Heat of Formation -1220.7 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 452.74 Å 3
Surface Area 383.27 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s,3s)-2-[[(2s,3s)-3-carbethoxyoxirane-2-carbonyl]amino]-3-methyl-pentanoyl]proline
  • (2s)-1-[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxiran-2-yl]carbonylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s,3s)-2-[[(2s,3s)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s,3s)-2-[[[(2s,3s)-3-ethoxycarbonyl-2-oxiranyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid
  • ca 030
  • ca-030
  • l-proline, 1-(n-((3-(ethoxycarbonyl)oxiranyl)carbonyl)-l-isoleucyl)-, (2s-trans)-
  • n-(3-ethoxycarbonyloxirane-2-carbonyl)-isoleucyl-proline
CAS Number(s)
  • 134447-97-5
InChIKey RFNNDNGXWCBNGK-VLJOUNFMSA-N
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