Flavinyltryptophan
Basic information
- CAS
21099-87-6- Standard SMILES
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c(=O)nc2n(C)c3cc(C)c(C)cc3nc-2c1=O- InChIKey
FLPUCSKZOHMPTF-FQEVSTJZSA-N- Molecular formula
- C27H26N6O5
- Average molar mass
- 514.5 g/mol
- Monoisotopic mass
- 514.19646795
Names & identifiers
- Preferred name
- Flavinyltryptophan
- IUPAC
- methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetyl]amino]propanoate
- English name
- flavinyltryptophan
- Molecular formula
- C27H26N6O5
- Molecular weight
- 514.53
Names & synonyms
Flavinyltryptophan21099-87-6L-Tryptophan, N-((4,10-dihydro-7,8,10-trimethyl-2,4-dioxobenzo(g)pteridin-3(2H)-yl)acetyl)-, methyl esterRefChem:140625methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetyl]amino]propanoateorb1986044DTXSID30943411AKOS040751808methyl (2-(7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)acetyl)-L-tryptophanateT31798N-[(2S)-3-(1H-Indol-3-yl)-1-methoxy-1-oxopropan-2-yl](7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)ethanimidic acidN-[3-(1H-Indol-3-yl)-1-methoxy-1-oxopropan-2-yl]-2-(7,8,10-trimethyl-2,4-dioxo-4,10-dihydrobenzo[g]pteridin-3(2H)-yl)ethanimidic acid
Show more names
L-Tryptophan, N-[(4,10-dihydro-7,8,10-trimethyl-2,4-dioxobenzo[g]pteridin-3(2H)-yl)acetyl]-, methyl ester (9CI)
Database identifiers
- CAS
21099-87-6- PubChem CID
- 193571
- DTXSID
DTXSID30943411
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,060
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Compound notes
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