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N-Fmoc-Freidinger's lactam

HCID 4525533
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Basic information

CAS
957507-85-6
Standard SMILES
CC(C)C(C(=O)O)N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1=O
InChIKey
PEMHOAIHPQJNIM-UHFFFAOYSA-N
Molecular formula
C24H26N2O5
Average molar mass
422.5 g/mol
Monoisotopic mass
422.18417193

Names & identifiers

Preferred name
N-Fmoc-Freidinger's lactam
IUPAC
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
English name
N-Fmoc-freidinger's lactam
Molecular formula
C24H26N2O5
Molecular weight
422.47

Names & synonyms

N-Fmoc-Freidinger's lactam957507-85-62-(3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acidAKOS034073117EN300-658054N-Fmoc-Freidinger inverted exclamation mark s lactamZ2800682990Fmoc-Gly-Val Freidinger inverted exclamation mark s lactamFmoc-Gly-Val Freidingers lactam(2S)-2-[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid1-Pyrrolidineaceticacid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-(1-methylethyl)-2-oxo-,(αS,3R)-
Show more names
1-Pyrrolidineacetic acid, 3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-(1-methylethyl)-2-oxo-, (αS,3R)-N-Fmoc-Freidinger′s lactam, CAS 957507-85-6(s)-2-((r)-3-((((9h-Fluoren-9-yl)methoxy)carbonyl)amino)-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid

Database identifiers

CAS
957507-85-6
PubChem CID
4525533
EC Number
693-444-5

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
95.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Formal charge
0
Complexity
673

Physicochemical properties

Boiling point
676.794 · 676.794±55.00 °C(Press: 760.00 Torr)(predicted)
Density
1.329 · 1.329±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.
2 · 2-8°C
pka
3.774 · 3.774±0.10(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26
WGK Germany
3 · 3

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Related reactions

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Compound notes

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