Methyl N-[(2S)-2,6-Diaminohexyl]-2-[(2-Nitrophenyl)Sulfanyl]-L-Tryptophanate

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Properties Simple | Detailed

Formula C24H31N5O4S
IUPAC Name methyl (2s)-2-[[(2s)-2,6-diaminohexyl]amino]-3-[2-(2-nitrophenyl)sulfanylindol-1-ium-2-ylium-3-yl]propanoate
Molecular Mass 485.599 g·mol−1
Heat of Formation -179.4 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 590.21 Å 3
Surface Area 469.12 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2,6-diaminohexyl]amino]-3-[2-[(2-nitrophenyl)thio]-1h-indol-3-yl]propanoic acid methyl ester
  • (2s)-2-[[(2s)-2,6-diaminohexyl]amino]-3-[2-[(2-nitrophenyl)thio]-1h-indol-3-yl]propionic acid methyl ester
  • l-tryptophan, n-(2,6-diaminohexyl)-2-((2-nitrophenyl)thio)-, methyl ester, (s)-
  • ltnam
  • lys-psi(ch2nh)-trp(nps)-ome
  • lysyl-psi(ch2nh)-2-nitrophenylsulfenyltryptophyl methyl ester
  • lysyl-psi(methyleneamino)-((2-nitrophenyl)thio)tryptophyl methyl ester
CAS Number(s)
  • 141365-20-0
InChIKey ZLPYAPQORXGARX-JXFKEZNVSA-N
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