(3S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid
Basic information
- CAS
507472-09-5- Standard SMILES
O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccsc1- InChIKey
FQLMDOMRTRHLFX-XKGZFIRZNA-N- Molecular formula
- C22H19NO4S
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.10347926
Names & identifiers
- Preferred name
- (3S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid
- IUPAC
- (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid
- English name
- Fmoc-(S)-3-amino-3-(3-thienyl)-propionic acid
- Molecular formula
- C22H19NO4S
- Molecular weight
- 393.46
Names & synonyms
507472-09-5(3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(thiophen-3-yl)propanoic acid(3S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acidRefChem:401235894-783-3Fmoc-(S)-3-Amino-3-(3-thienyl)-propionic acid(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acidMFCD03427989(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acidFMOC-D-BETA-ALA-(3-THIENYL)-OHFmoc-(S)-3-amino-3-(3-thienyl)propionic acidFmoc-D-b-Ala-(3-thienyl)-OH
Show more names
RARECHEM LK FC S195FMOC-(S)-3-AMINO-3-(3-THIENYL)-PROPANOIC ACID(S)-3-(Fmoc-amino)-3-(thiophen-3-yl)propanoic acidN-β-(9-Fluorenylmethoxycarbonyl)-β-(3-thienyl)-D-β-homoglycine(S)-N-(9-FLUORENYLMETHOXYCARBONYL)-3-AMINO-3-(3-THIENYL)-PROPIONIC ACID
Fmoc-D-|A-Ala-(3-thienyl)-OHFMOC-D-THG(3)-(C*CH2)OHAS-82966SY256003FMOC-D-GLY(3-THIENYL)-(C*CH2)OHCS-0179099E70662EN300-1164412
Database identifiers
- CAS
507472-09-5- PubChem CID
- 7023367
- EC Number
- 894-783-3
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Physicochemical properties
- Boiling point
- 631.2 · 631.2±55.0 °C(Predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.24 · 4.24±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1/C22H19NO4S/c24-21(25)11-20(14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/s3
- InChIKey
- FQLMDOMRTRHLFX-XKGZFIRZNA-N
- SMILES
- C12C=CC=CC=1C1C=CC=CC=1C2COC(=O)N[C@@H](CC(=O)O)C1=CSC=C1 |&1:18,r|
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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