L-Valine, N-((phenylmethoxy)carbonyl)-, 2,5-dioxo-1-pyrrolidinyl ester

HCID 853556

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Basic information

CAS: 3496-11-5
Standard SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)ON1C(=O)CCC1=O
InChIKey: MFAOBGXYLNLLJE-HNNXBMFYSA-N
Molecular formula: C17H20N2O6
Average molar mass: 348.3 g/mol
Monoisotopic mass: 348.13213636

Names & identifiers

Preferred name: L-Valine, N-((phenylmethoxy)carbonyl)-, 2,5-dioxo-1-pyrrolidinyl ester
IUPAC: (2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
English name: Z-Val-OSu
Molecular formula: C17H20N2O6
Molecular weight: 348.35

Names & synonyms

3496-11-5PXB9R4RWE2N-Benzyloxycarbonyl-L-valine N-hydroxysuccinimide esterDTXSID50188504NSC-322480Benzyl (S)-(1-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-2-methylpropyl)carbamateL-VALINE, N-((PHENYLMETHOXY)CARBONYL)-, 2,5-DIOXO-1-PYRROLIDINYL ESTERRefChem:1088306DTXCID40110995222-493-3Z-Val-OSuN-Carbobenzoxy-L-valine Succinimidyl Ester

Show more names

2,5-dioxopyrrolidin-1-yl ((benzyloxy)carbonyl)-L-valinate3496/11/5NSC 322480Z-L-Val-OSuZ-VALINE-OSUZ-L-Val-ONSuCBZ-L-VALINE-OSU

ZValOSuMFCD00053547Cbz-Val-OSu(S)-2,5-Dioxopyrrolidin-1-yl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoateSCHEMBL4425151N-Cbz-L-valine Succinimidyl EsterM03072(2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Database identifiers

CAS: 3496-11-5
PubChem CID: 853556
DTXSID: DTXSID50188504
UNII: PXB9R4RWE2
EC Number: 222-493-3
Nikkaji: J79.811H

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 511

Physicochemical properties

Melting point: 114 · 114-118℃
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: 1 mmol · Soluble in 1mmol in 2mL DCM.
pka: 10.51 · 10.51±0.46(Predicted)
form: Powder
color: White to off-white
optical activity: -21.534 ° · -21.534°(C=0.01 g/ml Dioxane)
CAS DataBase Reference: 3496 · 3496-11-5
FDA UNII: 9 R4RWE2 · PXB9R4RWE2
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
HS Code: 2933.79 · 2933.79.8500