N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Tyrosyl-N-Methyl-4-(Sulfoamino)-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C24H32N4O8S
IUPAC Name [4-[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-(methylamino)-3-oxo-propyl]phenyl]sulfamic acid
Molecular Mass 536.598 g·mol−1
Heat of Formation -1475.0 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 629.81 Å 3
Surface Area 466.5 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-keto-3-methylamino-propyl]phenyl]sulfamic acid
  • [4-[(2s)-2-[[(2s)-2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylamino-3-oxo-propyl]phenyl]sulfamic acid
  • [4-[(2s)-2-[[(2s)-2-[(tert-butoxy-oxomethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methylamino-3-oxopropyl]phenyl]sulfamic acid
  • [4-[(2s)-2-[[(2s)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylamino-3-oxo-propyl]phenyl]sulfamic acid
  • [4-[(2s)-2-[[(2s)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-methylamino-3-oxopropyl]phenyl]sulfamic acid
  • n-(tert-butoxycarbonyl)-l-tyrosyl-n-methyl-4-(sulfoamino)-l-phenylalaninamide
  • ua1
InChIKey WHAYYJWTZOFXQG-PMACEKPBSA-N
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