(3S)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Basic information
- CAS
204322-23-6- Standard SMILES
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
IHHULIKSMJSELI-VWLOTQADSA-N- Molecular formula
- C27H22N2O4
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.15795719
Names & identifiers
- Preferred name
- (3S)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
- IUPAC
- (3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
- English name
- Fmoc-L-1,2,3,4-tetrahydronorharman-3-carboxylic acid
- Molecular formula
- C27H22N2O4
- Molecular weight
- 438.48
Names & synonyms
(3S)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid(3S)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1H,2H,3H,4H,9H-pyrido(3,4-b)indole-3-carboxylic acidRefChem:401213874-061-4204322-23-6Fmoc-L-1,2,3,4-Tetrahydronorharman-3-carboxylic acidFmoc-Tpi-OHFmoc-L-Tpi-OHMFCD00673786(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid(S)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acidAC-25328
Show more names
FMOC-L-1FMOC-L-TPIN-FMOC-L-1Fmoc-L-CarL(S)-2-FMOC-1FMOC-THNH(3)-OHRARECHEM BK PT 0090
PS-12018Fmoc-L-1,2,3,4-tetrahydro-norharman-3-carboxylic acid2H-pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(9H-fluoren-9-ylmethyl) ester, (S)-2H-Pyrido[3,4-b]indole-2,3-dicarboxylic acid, 1,3,4,9-tetrahydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3S)-(S)-2-Fmoc-1,2,3,4-tetrahydronorharmane-3-carboxylic acidFmoc-L-1,2,3,4-tetrahydro-norharman-3-carboxylicacidFmoc-L-1,2,3orb1219658
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 736
Physicochemical properties
- Boiling point
- 702.4 · 702.4±60.0 °C(Predicted)
- Density
- 1.396 · 1.396±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.92 · 3.92±0.20(Predicted)
- form
- Solid
- color
- White to off-white
- optical activity
- 20 · [α]20/D +56±2°, c = 1% in DMF
- Major Application
- peptide synthesis
- InChIKey
- IHHULIKSMJSELI-VWLOTQADSA-N
- SMILES
- OC(=O)[C@@H]1Cc2c(CN1C(=O)OCC3c4ccccc4-c5ccccc35)[nH]c6ccccc26
- CAS DataBase Reference
- 204322 · 204322-23-6(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29242990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Usespeptide synthesis
Suppliers
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Related reactions
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Compound notes
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