N~2~-[(4-Chlorophenyl)Sulfonyl]-N-[2-(Isopropylamino)-5-Methyl-4-Oxo-4H-3,1-Benzoxazin-7-Yl]-L-α-Glutamine

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Properties Simple | Detailed

Formula C23H25ClN4O7S
IUPAC Name (4s)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid
Molecular Mass 536.985 g·mol−1
Heat of Formation -1185.4 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 578.78 Å 3
Surface Area 435.04 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-[(4-chlorophenyl)sulfonylamino]-5-[[2-(isopropylamino)-4-keto-5-methyl-3,1-benzoxazin-7-yl]amino]-5-keto-valeric acid
  • (4s)-4-[(4-chlorophenyl)sulfonylamino]-5-[[2-(isopropylamino)-5-methyl-4-oxo-3,1-benzoxazin-7-yl]amino]-5-oxo-pentanoic acid
  • (4s)-4-[(4-chlorophenyl)sulfonylamino]-5-[[2-(isopropylamino)-5-methyl-4-oxo-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid
  • (4s)-4-[(4-chlorophenyl)sulfonylamino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxo-pentanoic acid
  • 7-(4-chlorophenylsulfonyl-l-glutamyl)amino-5-methyl-2-isopropylamino-4h-3,1-benzoxazin-4-one
  • pentanoic acid, 4-(((4-chlorophenyl)sulfonyl)amino)-5-((5-methyl-2-((1-methylethyl)amino)-4-oxo-4h-3,1-benzoxazin-7-yl)amino)-5-oxo-, (s)-
  • tei 5624
  • tei-5624
CAS Number(s)
  • 138006-80-1
InChIKey RRWCLOZGZFTDAW-KRWDZBQOSA-N
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