Boc-Leu-OSu

HCID 11023929

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Basic information

CAS: 3392-09-4
Standard SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)CCC1=O
InChIKey: WXRGJQZMGGGTSS-JTQLQIEISA-N
Molecular formula: C15H24N2O6
Average molar mass: 328.36 g/mol
Monoisotopic mass: 328.16343649

Names & identifiers

Preferred name: Boc-Leu-OSu
IUPAC: (2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
English name: Boc-Leu-OSu
Molecular formula: C15H24N2O6
Molecular weight: 328.36

Names & synonyms

Boc-Leu-OSu3392-09-4Boc-L-Leu-OSuMFCD00037913Boc-L-Leucine N-hydroxysuccinimide esterSCHEMBL3752138AKOS016003058FD21875AS-49229CS-0154136N-alpha-t-Butyloxycarbonyl-L-leucine succinimidyl esterAM81885

Show more names

(2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoateBoc-L-Leu-ONSuBOC-LEUCINE-OSUBOC-L-Leucine OsuIsoleucine Impurity 30(Tert-Butoxy)Carbonyl Leu-OSuBOC-L-LEUCINE HYDROXYSUCCINIMIDE ESTERBOC-L-LEUCINE-N-HYDROXYSUCCINIMIDESTER

DTXSID001367475FB47748SY066415DB-422531NS00048633(S)-2,5F222719J-019381

Database identifiers

CAS: 3392-09-4
PubChem CID: 11023929
DTXSID: DTXSID001367475
EC Number: 222-232-3
Nikkaji: J205.490F

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 479

Physicochemical properties

Melting point: 110 · 110-113 °C(lit.)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
pka: 10.81 · 10.81±0.46(Predicted)
Appearance: White to off-white Solid
optical activity: 20 · [α]20/D 43.5±1°, c = 1% in dioxane
BRN: 4538026 · 4538026
Major Application: peptide synthesis
InChI: InChI=1S/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m0/s1
InChIKey: WXRGJQZMGGGTSS-JTQLQIEISA-N
SMILES: C(ON1C(=O)CCC1=O)(=O)[C@H](CC(C)C)NC(OC(C)(C)C)=O
CAS DataBase Reference: 3392 · 3392-09-4(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
F: 3 · 3-10-21
Storage Class: 13 · 13 - Non Combustible Solids