Ethyl (2E,4S)-4-({(2S)-2-[(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Valyl)Amino]-2-Phenylacetyl}Amino)-5-[(3S)-2-Oxo-3-Pyrrolidinyl]-2-Pentenoate

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Properties Simple | Detailed

Formula C29H42N4O7
IUPAC Name ethyl (e,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-acetyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
Molecular Mass 558.666 g·mol−1
Heat of Formation -1339.1 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 697.44 Å 3
Surface Area 594.83 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • (e,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-acetyl]amino]-5-[(3s)-2-ketopyrrolidin-3-yl]pent-2-enoic acid ethyl ester
  • (e,4s)-4-[[(2s)-2-[[(2s)-2-[(tert-butoxy-oxomethyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxo-2-phenylethyl]amino]-5-[(3s)-2-oxo-3-pyrrolidinyl]pent-2-enoic acid ethyl ester
  • ethyl (e,4s)-4-[[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-2-phenyl-acetyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • ethyl (e,4s)-4-[[(2s)-2-[[(2s)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenyl-ethanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
  • ethyl (e,4s)-4-[[(2s)-2-[[(2s)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-2-phenylacetyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pent-2-enoate
InChIKey NUDVEHBHDBJSMD-FORQOIBDSA-N
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