4-Amino-5-[[2-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
Basic information
- CAS
100940-58-7- Standard SMILES
COc1cc(NC(=O)C(Cc2ccccc2)NC(=O)CNC(=O)C(N)CCC(=O)O)cc2ccccc12- InChIKey
PBDYNZJYYRZOFV-UHFFFAOYSA-N- Molecular formula
- C27H30N4O6
- Average molar mass
- 506.5 g/mol
- Monoisotopic mass
- 506.21653469
Names & identifiers
- Preferred name
- 4-Amino-5-[[2-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
- IUPAC
- 4-amino-5-[[2-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
- English name
- N-Glutaryl-Gly-Phe 4-methoxy-beta-naphthylamide
- Molecular formula
- C27H30N4O6
- Molecular weight
- 506.55
Names & synonyms
100940-58-74-amino-5-[[2-[[1-[(4-methoxynaphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acidn-glutaryl-gly-phe 4-methoxy-beta-naphthylamideN-Glutaryl-Gly-Phe-4-methoxy-beta-naphthylamideCID 4184072PBDYNZJYYRZOFV-UHFFFAOYSA-NDTXSID40400444alpha-Glutamylglycyl-N-(4-methoxynaphthalen-2-yl)phenylalaninamiden-glutaryl-gly-phe-4-methoxy-β-naphthylamideN-glutaryl-gly-phe 4-methoxy-B-*naphthylamideL-Phenylalaninamide, L-α-glutamylglycyl-N-(4-methoxy-2-naphthalenyl)- (9CI)
Database identifiers
- CAS
100940-58-7- PubChem CID
- 4184072
- DTXSID
DTXSID40400444- EC Number
- 634-481-9
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 281 · P281
- Hazard Codes
- Xn
- Risk Statements
- 40 · 40
- Safety Statements
- 22 · 22-36
- WGK Germany
- 3 · 3
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
- wgk
- 3
- risk_code
- 40
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn
- safety_code
- 22-36
- Hazard statements
- H351
- Precautionary statements
- P281
Chemistry & industry
Applications
UsesN-Glutaryl-Gly-Phe-4-methoxy-beta-naphthylamide
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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