Methyl N-[(7,8,10-Trimethyl-2,4-Dioxo-4,10-Dihydrobenzo[G]Pteridin-3(2H)-Yl)Acetyl]-L-Tryptophanate

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Properties Simple | Detailed

Formula C27H26N6O5
IUPAC Name methyl (2s)-3-(1h-indol-3-yl)-2-[[2-(7,8,10-trimethyl-2,4-dioxo-benzo[g]pteridin-3-yl)acetyl]amino]propanoate
Molecular Mass 514.533 g·mol−1
Heat of Formation -468.9 ± 16.7 kJ·mol−1
Dipole Moment 10.09 ± 1.08 D
Volume 586.24 Å 3
Surface Area 473.22 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[2-(2,4-diketo-7,8,10-trimethyl-benzo[g]pteridin-3-yl)acetyl]amino]-3-(1h-indol-3-yl)propionic acid methyl ester
  • (2s)-3-(1h-indol-3-yl)-2-[[1-oxo-2-(7,8,10-trimethyl-2,4-dioxo-3-benzo[g]pteridinyl)ethyl]amino]propanoic acid methyl ester
  • flavinyltryptophan
  • l-tryptophan, n-((4,10-dihydro-7,8,10-trimethyl-2,4-dioxobenzo(g)pteridin-3(2h)-yl)acetyl)-, methyl ester
  • methyl (2s)-3-(1h-indol-3-yl)-2-[2-(7,8,10-trimethyl-2,4-dioxo-benzo[g]pteridin-3-yl)ethanoylamino]propanoate
  • methyl (2s)-3-(1h-indol-3-yl)-2-[[2-(7,8,10-trimethyl-2,4-dioxo-benzo[g]pteridin-3-yl)acetyl]amino]propanoate
CAS Number(s)
  • 21099-87-6
InChIKey FLPUCSKZOHMPTF-FQEVSTJZSA-N
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