Flavinyltryptophan
[CAS# 21099-87-6]

Identification

• Name: Flavinyltryptophan
• Synonyms: Methyl (2S)-3-(1H-Indol-3-Yl)-2-[[2-(7,8,10-Trimethyl-2,4-Dioxo-Benzo[G]Pteridin-3-Yl)Acetyl]Amino]Propanoate; (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; (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
• Molecular Formula: C₂₇H₂₆N₆O₅
• Molecular Weight: 514.54
• CAS Registry Number: 21099-87-6
• SMILES: [C@H](C(=O)OC)(NC(=O)CN3C(N=C2C(=NC1=CC(=C(C=C1N2C)C)C)C3=O)=O)CC4=C[NH]C5=CC=CC=C45
• InChI: 1S/C27H26N6O5/c1-14-9-19-21(10-15(14)2)32(3)24-23(30-19)25(35)33(27(37)31-24)13-22(34)29-20(26(36)38-4)11-16-12-28-18-8-6-5-7-17(16)18/h5-10,12,20,28H,11,13H2,1-4H3,(H,29,34)/t20-/m0/s1
• InChIKey: FLPUCSKZOHMPTF-FQEVSTJZSA-N

Properties

• Density: 1.443g/cm³ (Cal.)