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N6-(tert-Butoxycarbonyl)-N2-((9H-fluoren-9-ylmethoxy)carbonyl)-L-lysine

HCID 100113
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
205812-10-8
Standard SMILES
CC(C)(C)OC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
UMRUUWFGLGNQLI-UHFFFAOYSA-N
Molecular formula
C26H32N2O6
Average molar mass
468.5 g/mol
Monoisotopic mass
468.22603674

Names & identifiers

Preferred name
N6-(tert-Butoxycarbonyl)-N2-((9H-fluoren-9-ylmethoxy)carbonyl)-L-lysine
IUPAC
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
English name
6-{[(tert-butoxy)carbonyl]amino}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanoic acid
Molecular formula
C26H32N2O6
Molecular weight
468.54

Names & synonyms

EINECS 276-256-4NSC 334302N6-(tert-Butoxycarbonyl)-N2-((9H-fluoren-9-ylmethoxy)carbonyl)-L-lysineN6-(tert-butoxycarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysineRefChem:365192276-256-471989-26-9205812-10-8Fmoc-DL-Lys(Boc)-OH6-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)HEXANOIC ACIDN2-Fmoc-N6-Boc-DL-lysineNalpha-Fmoc-Nepsilon-Boc-L-lysine
Show more names
MFCD01605729N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(tert-butoxycarbonyl)lysine2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-((tert-butoxycarbonyl)amino)hexanoic acid2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid2-(Fmoc-amino)-6-(Boc-amino)hexanoic AcidN2-(((9H-fluoren-9-yl)methoxy)carbonyl)-N6-(tert-butoxycarbonyl)-L-lysineNalpha-(9-Fluorenylmethoxycarbonyl)-nepsilon-(tert-butoxycarbonyl)-L-lysineLysine, N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-

Database identifiers

CAS

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
114 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
34
Formal charge
0
Complexity
684

Physicochemical properties

Boiling point
685.745 · 685.745±55.00 °C(Press: 760.00 Torr)(predicted)
Density
1.21 · 1.210±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
Store at room temperature, keep dry and cool
pka
3.883 · 3.883±0.21(predicted)
Appearance
White to off-white Solid
InChIKey
UMRUUWFGLGNQLI-QFIPXVFZSA-N
SMILES
C(O)(=O)[C@H](CCCCNC(OC(C)(C)C)=O)NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

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 · 5 items

This chemical does not meet GHS hazard criteria for 50% (5 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: N6-(tert-butoxycarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine (EC: 276-256-4)
Hazard Classes and CategoriesSkin Irrit. 2 (30%)

Chemistry & industry

Suppliers6 total

山东鲁祥药业有限公司530-19050550419 19050550419 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海康恩博医药科技有限公司(科小研试剂)400-1388-521 17510465506 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

1 records
New reaction record
HRID 302275 reaction equation
HRID 302275As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
205812-10-8、71989-26-9
PubChem CID
100113
UNII
8N497TH6WR
EC Number
276-256-4