Methyl N-(9H-β-Carbolin-3-Ylcarbonyl)-L-Leucinate

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Properties Simple | Detailed

Formula C19H21N3O3
IUPAC Name methyl (2s)-4-methyl-2-(9h-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
Molecular Mass 339.388 g·mol−1
Heat of Formation -337.2 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 409.35 Å 3
Surface Area 371.52 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(9h-$b-carboline-3-carbonylamino)-4-methyl-valeric acid methyl ester
  • (2s)-4-methyl-2-[[oxo-(9h-pyrido[5,4-b]indol-3-yl)methyl]amino]pentanoic acid methyl ester
  • leu-b-ccme
  • methyl (2s)-4-methyl-2-(9h-pyrido[5,4-b]indol-3-ylcarbonylamino)pentanoate
CAS Number(s)
  • 110672-77-0
InChIKey CTOFLACLODXZBA-INIZCTEOSA-N
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