Methyl N-[(2S,3R)-3,7-Diamino-2-Hydroxyheptanoyl]-1-[(2-Nitrophenyl)Sulfanyl]-L-Tryptophanate

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Properties Simple | Detailed

Formula C25H31N5O6S
IUPAC Name methyl (2s)-2-[[(2s,3r)-3,7-diamino-2-hydroxy-heptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
Molecular Mass 529.609 g·mol−1
Heat of Formation -498.8 ± 16.7 kJ·mol−1
Dipole Moment 8.25 ± 1.08 D
Volume 640.24 Å 3
Surface Area 481.94 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(2s,3r)-3,7-diamino-2-hydroxy-1-oxoheptyl]amino]-3-[1-[(2-nitrophenyl)thio]-3-indolyl]propanoic acid methyl ester
  • (2s)-2-[[(2s,3r)-3,7-diamino-2-hydroxy-heptanoyl]amino]-3-[1-[(2-nitrophenyl)thio]indol-3-yl]propionic acid methyl ester
  • 3,7-diamino-2-hydroxyheptanoic acid-2-(2-nitrophenylsulfenyl)tryptophan methyl ester
  • dha-trpnps
  • l-tryptophan, n-(3,7-diamino-2-hydroxy-1-oxoheptyl)-1-((2-nitrophenyl)thio)-, methyl ester, (s-(r*,s*))-
  • methyl (2s)-2-[[(2s,3r)-3,7-diamino-2-hydroxy-heptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
  • methyl (2s)-2-[[(2s,3r)-3,7-diamino-2-hydroxyheptanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate
CAS Number(s)
  • 138257-79-1
InChIKey MFFKDZWEEBNNMI-MSYCTHLASA-N
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