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

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Properties Simple | Detailed

Formula C38H49N5O7
IUPAC Name (4s)-5-[[(1s)-2-amino-1-benzyl-2-oxo-ethyl]amino]-4-[[(2s)-2-[[(3s)-3-(1,1-dimethylethoxycarbonylamino)-4-phenyl-butyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 687.825 g·mol−1
Heat of Formation -1323.8 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 847.13 Å 3
Surface Area 597.09 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-5-[[(1s)-2-amino-1-(benzyl)-2-keto-ethyl]amino]-4-[[(2s)-2-[[(3s)-3-(tert-butoxycarbonylamino)-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-[[(3s)-3-(tert-butoxycarbonylamino)-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-[[(3s)-3-[(tert-butoxy-oxomethyl)amino]-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-[[(3s)-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-[[(3s)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid
  • boc-phe[chch2nh]phe-glu-phe-nh2
InChIKey CBWQRQVEXJTNOT-ZLESDFJESA-N
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