2-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoyl]amino]acetyl]amino]-4-methyl-N-naphthalen-2-ylpentanamide
Basic information
- CAS
117756-24-8- Standard SMILES
CC(C)CC(NC(=O)CNC(=O)C(Cc1ccccc1)N1C(=O)CCC1=O)C(=O)Nc1ccc2ccccc2c1- InChIKey
SGVJLMFFXDTAFJ-UHFFFAOYSA-N- Molecular formula
- C31H34N4O5
- Average molar mass
- 542.6 g/mol
- Monoisotopic mass
- 542.2529202
Names & identifiers
- Preferred name
- 2-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoyl]amino]acetyl]amino]-4-methyl-N-naphthalen-2-ylpentanamide
- IUPAC
- 2-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoyl]amino]acetyl]amino]-4-methyl-N-naphthalen-2-ylpentanamide
- English name
- N-Succinyl-Phe-Gly-Leu beta-naphthylamide
- Molecular formula
- C31H34N4O5
- Molecular weight
- 542.63
Names & synonyms
117756-24-82-[[2-[[2-(2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoyl]amino]acetyl]amino]-4-methyl-N-naphthalen-2-ylpentanamideCHEMBL5305304DTXSID90391515N-Succinyl-Phe-Gly-Leu beta-naphthylamideN-Succinyl-Phe-Gly-Leu-beta-naphthylamideN-[2-(2,5-Dioxopyrrolidin-1-yl)-3-phenylpropanoyl]glycyl-N-(naphthalen-2-yl)leucinamideN-succinyl-phe-gly-leu B-naphthylamiden-succinyl-phe-gly-leu-β-naphthylamideN-Succinyl-Phe-Gly-Leu-β-naphthylamideL-Leucinamide, N-[(2S)-2-(2,5-dioxo-1-pyrrolidinyl)-1-oxo-3-phenylpropyl]glycyl-N-2-naphthalenyl- (9CI)
Database identifiers
- CAS
117756-24-8- PubChem CID
- 3329945
- DTXSID
DTXSID90391515- ChEMBL
CHEMBL5305304- EC Number
- 634-202-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 915
Physicochemical properties
- Boiling point
- 923.1 · 923.1±65.0 °C(Predicted)
- Density
- 1.275 · 1.275±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- solid
- pka
- 13.06 · 13.06±0.46(Predicted)
- InChIKey
- SGVJLMFFXDTAFJ-UHFFFAOYSA-N
- SMILES
- CC(C)CC(NC(=O)CNC(=O)C(Cc1ccccc1)N2C(=O)CCC2=O)C(=O)Nc3ccc4ccccc4c3
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 83 · NA.83
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 281 · P281
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
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
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P280, P318, 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.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H351
- Hazard Classifications
- Carc. 2
- Precautionary statements
- P281
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…