Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O- InChIKey
CBPJQFCAFFNICX-IBGZPJMESA-N- Molecular formula
- C21H23NO4
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.16270822
Overview
a leumedin; RN given for (L)-isomer
Names & identifiers
- Preferred name
- Fmoc-leucine
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid
Names & synonyms
35661-60-0fmoc-leucineN-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-leucinen-(fluorenyl-9-methoxycarbonyl)leucineN-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-leucineRefChem:828294252-662-7Fmoc-L-leucineFmoc-Leu-OHFmoc-L-Leu-OHN-Fmoc-L-leucineN-(9-fluorenylmethoxycarbonyl)-L-leucine
Show more names
MFCD00037133(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoic acid(((9H-fluoren-9-yl)methoxy)carbonyl)-L-leucineDTXSID0040751(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acidMLS002695993KF18F70UF3NPC-15199
Database identifiers
- CAS
35661-60-0- PubChem CID
- 1549133
- DTXSID
DTXSID0040751- ChEMBL
CHEMBL149394- UNII
- KF18F70UF3
- EC Number
- 252-662-7
- Nikkaji
- J256.549H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Physical DescriptionSolid; [EMD Millipore MSDS]
Collision Cross Section
263.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0040751]
186.02 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 40% (4 of 10) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryNot considered hazardous by GHS classification; [EMD Millipore MSDS] See Fluorene.
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Chemistry & industry
Uses & manufacturing
UsesUsed in chemical and peptide syntheses; [EMD Millipore MSDS]
Related reactions
43 records
Linked notes
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