Basic information
- CAS
61897-89-0- Standard SMILES
C[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1- InChIKey
ZVBIGFFAMBWOSA-RGKJGADRSA-N- Molecular formula
- C22H18N4O4
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.13280507
Overview
Tryptoquivaline F is an alpha-amino acid ester.
Names & identifiers
- Preferred name
- Tryptoquivaline F
- IUPAC
- (2S,3'R,3aR,4S)-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
- English name
- Tryptoquivaline f
- Molecular formula
- C22H18N4O4
- Molecular weight
- 402.4
Names & synonyms
Tryptoquivaline FFumitremorgin FUNII-SEZ763TO35SEZ763TO3519-EPIFUMITREMORGIN J19-EPITRYPTOQUIVALINE JDTXSID80216400SPIRO(FURAN-2(5H),9'-(9H)IMIDAZO(1,2-A)INDOLE)-3',5(2'H)-DIONE, 1',3,4,9'A-TETRAHYDRO-2'-METHYL-4-(4-OXO-3(4H)-QUINAZOLINYL)-, (2S,2'S,4R,9'AR)-Spiro(furan-2(5H),9'-(9H)imidazo(1,2-a)indole)-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-, (2S,2'S,4S,9'aR)-RefChem:192370DTXCID4013889161897-89-0
Show more names
isotryptoquivaline FSpiro[furan-2(5H),9'-[9H]imidazo[1,2-a]indole]-3',5(2'H)-dione, 1',3,4,9'a-tetrahydro-2'-methyl-4-(4-oxo-3(4H)-quinazolinyl)-, (2S,2'S,4R,9'aR)-
Tryptoquivaline JCHEMBL557488CHEBI:227270EX-A16423(2S,3'R,3aR,4S)-2-methyl-3'-(4-oxoquinazolin-3-yl)spiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione66212-51-9Q27289169(2S,2'S,4'R,9aR)-2-Methyl-4'-(4-oxoquinazolin-3(4H)-yl)-1,9a-dihydrospiro[imidazo[1,2-a]indole-9,2'-oxolane]-3,5'(2H)-dione
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 830
Physicochemical properties
- Boiling point
- 722.602 · 722.602±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.614 · 1.614±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.987 · 4.987±0.60(predicted)
- FDA UNII
- 763 TO35 · SEZ763TO35
Chemistry & industry
Suppliers1 total
桂林艾使普林生物科技有限公司15920419256 · [email protected]
Related reactions
0 records
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Compound notes
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