Carbobenzoxyglycylglycine

HCID 95686

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Basic information

CAS: 2566-19-0
Standard SMILES: O=C(O)CNC(=O)CNC(=O)OCc1ccccc1
InChIKey: VFRCXEHNAFUTQC-UHFFFAOYSA-N
Molecular formula: C12H14N2O5
Average molar mass: 266.25 g/mol
Monoisotopic mass: 266.09027155

Names & identifiers

Preferred name: Carbobenzoxyglycylglycine
IUPAC: 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
English name: Cbz-Gly-Gly
Molecular formula: C12H14N2O5
Molecular weight: 266.25

Names & synonyms

2566-19-0Cbz-gly-glyCarbobenzoxyglycylglycineCarbobenzoxy-gly-glyGlycine, N-[N-[(phenylmethoxy)carbonyl]glycyl]-NSC-29727J4384F9CHJDTXSID00180356Glycine, N-(N-((phenylmethoxy)carbonyl)glycyl)-RefChem:123533DTXCID101028472-(2-(((Benzyloxy)carbonyl)amino)acetamido)acetic acid

Show more names

N-CBZ-GLY-GLYZ-GLYCYL GLYCINEAKOS BBS-00007676N-CBZ-GLYCYLGLYCINECBZ-GLYCINE-GLYCINECbz-Gly-Gly USP/EP/BP

Z-Gly-Gly-OHN-[(benzyloxy)carbonyl]glycylglycine(N-Cbz-glycyl)glycineCbz-Gly-Gly-OH(Carbobenzoxy)glycylglycineMFCD000377832-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acidZ-Gly-Gly

Database identifiers

CAS: 2566-19-0
PubChem CID: 95686
DTXSID: DTXSID00180356
ChEMBL: CHEMBL3810057
UNII: J4384F9CHJ
EC Number: 802-238-8
Nikkaji: J605.949J

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 105 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 326

Physicochemical properties

Melting point: 178 °C · 178 °C
Boiling point: 587.2 · 587.2±45.0 °C(Predicted)
Density: 1.323 · 1.323±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Very Slightly, Heated)
pka: 3.41 · 3.41±0.10(Predicted)
form: Solid
color: White to Off-White
InChI: InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)
InChIKey: VFRCXEHNAFUTQC-UHFFFAOYSA-N
SMILES: C(O)(=O)CNC(=O)CNC(OCC1=CC=CC=C1)=O
CAS DataBase Reference: 2566 · 2566-19-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HazardClass: IRRITANT
HS Code: 29242990 · 29242990

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationGlycine, N-N-(phenylmethoxy)carbonylglycyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Safety data

hs_code: 29242990
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 1 item

UsesN-[(Benzyloxy)carbonyl]glycylglycine is a reagent in the synthesis of Glycylglycyl-L-tyrosine (G718500), which is a fungal tyrosinases and their capability to oxidize peptide-bound tyrosine residues is important in a view of applicability of tyrosinases.