Basic information
- CAS
52885-18-4- Standard SMILES
O=C(NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1- InChIKey
GXKYITDLDSANPE-UHFFFAOYSA-N- Molecular formula
- C20H22N2O7
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.14270105
Names & identifiers
- Preferred name
- Carbobenzyloxy-L-seryl-L-tyrosine
- IUPAC
- 3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Names & synonyms
carbobenzyloxy-l-seryl-l-tyrosineRefChem:574211667-945-452885-18-4N-[(Benzyloxy)carbonyl]seryltyrosineNSC333748SCHEMBL10805881DTXSID60318673AKOS024432450NSC-3337483-(4-hydroxyphenyl)-2-[(3-hydroxy-2-phenylmethoxycarbonylamino-propanoyl)amino]propanoic acidDS-004574
Database identifiers
- CAS
52885-18-4- PubChem CID
- 333329
- DTXSID
DTXSID60318673- EC Number
- 667-945-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
1 records
Compound notes
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