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

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Properties Simple | Detailed

Formula C38H50N6O7
IUPAC Name tert-butyl n-[(1s,2s)-3-[[(1s)-2-[[(1s)-4-amino-1-[[(1s)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-oxo-butyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate
Molecular Mass 702.840 g·mol−1
Heat of Formation -1308.0 ± 16.7 kJ·mol−1
Dipole Moment 6.09 ± 1.08 D
Volume 876.35 Å 3
Surface Area 631.69 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • boc-phe-.phi.[(s)-ch(oh)ch2nh]phe-gln-phe-nh2
  • n-[(1s,2s)-3-[[(1s)-2-[[(1s)-4-amino-1-[[(1s)-2-amino-1-(benzyl)-2-keto-ethyl]carbamoyl]-4-keto-butyl]amino]-1-(benzyl)-2-keto-ethyl]amino]-1-(benzyl)-2-hydroxy-propyl]carbamic acid tert-butyl ester
  • n-[(1s,2s)-3-[[(1s)-2-[[(1s)-4-amino-1-[[[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-oxomethyl]-4-oxobutyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid tert-butyl ester
  • tert-butyl n-[(1s,2s)-3-[[(1s)-2-[[(1s)-4-amino-1-[[(1s)-2-amino-2-oxo-1-(phenylmethyl)ethyl]carbamoyl]-4-oxo-butyl]amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • tert-butyl n-[(2s,3s)-4-[[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-amino-1-oxo-3-phenyl-propan-2-yl]amino]-1,5-dioxo-pentan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • tert-butyl n-[(2s,3s)-4-[[(2s)-1-[[(2s)-5-amino-1-[[(2s)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChIKey SSPOMXWWHDMCTH-XDIGFQIYSA-N
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