Methyl L-Lysyl-1-[(2-Nitrophenyl)Sulfanyl]-L-Tryptophanate

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Properties Simple | Detailed

Formula C22H31N5O5S
IUPAC Name methyl (2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-[1-[(z)-1-methyl-2-nitro-prop-1-enyl]sulfanylindol-1-ium-3-yl]propanoate
Molecular Mass 477.577 g·mol−1
Heat of Formation -300.6 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 589.16 Å 3
Surface Area 497.25 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s)-2,6-diamino-1-oxohexyl]amino]-3-[1-[(2-nitrophenyl)thio]-3-indolyl]propanoic acid methyl ester
  • (2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-[1-[(2-nitrophenyl)thio]indol-3-yl]propionic acid methyl ester
  • h-lys-trp(nps)-ome
  • h-lysyl-2-(2-nitrophenylsulfenyl)tryptophan methyl ester
  • l-tryptophan, n-l-lysyl-1-((2-nitrophenyl)thio)-, methyl ester
  • methyl (2s)-2-[[(2s)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
  • n-l-lysyl-1-((2-nitrophenyl)thio)-l-tryptophan methyl ester
CAS Number(s)
  • 109064-70-2
InChIKey QGTJIZCTYUGOEQ-OALUTQOASA-N
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