N-{(2S,3S)-3-[(Tert-Butoxycarbonyl)Amino]-2-Hydroxy-4-Phenylbutyl}-L-Phenylalanyl-L-α-Glutamyl-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C38H49N5O8
IUPAC Name (4s)-5-[[(1s)-2-amino-1-benzyl-2-oxo-ethyl]amino]-4-[[(2s)-2-[[(2s,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 703.824 g·mol−1
Heat of Formation -1509.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 865.77 Å 3
Surface Area 608.77 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy 3.05 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-5-[[(1s)-2-amino-1-(benzyl)-2-keto-ethyl]amino]-4-[[(2s)-2-[[(2s,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-5-keto-valeric acid
  • (4s)-5-[[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-4-[[(2s)-2-[[(2s,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoic acid
  • (4s)-5-[[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-4-[[(2s)-2-[[(2s,3s)-3-[(tert-butoxy-oxomethyl)amino]-2-hydroxy-4-phenylbutyl]amino]-1-oxo-3-phenylpropyl]amino]-5-oxopentanoic acid
  • (4s)-5-[[(2s)-1-amino-1-oxo-3-phenyl-propan-2-yl]amino]-4-[[(2s)-2-[[(2s,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoic acid
  • (4s)-5-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2s)-2-[[(2s,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
  • boc-phe[ch(oh)ch2nh]phe-glu-phe-nh2
  • n-{(2s,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}-l-phenylalanyl-l-.alpha.-glutamyl-l-phenylalaninamide
InChIKey MPMUDVMRFYJRLP-XDIGFQIYSA-N
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