Basic information
- CAS
219905-91-6- Standard SMILES
CCCCCCCCCC(=O)NC(CCC(=O)N(CCNC(=O)c1nc(-c2ccccc2)oc1-c1ccccc1)Cc1ccccc1)C(=O)O- InChIKey
WEKFGLUSHCQPGG-UHFFFAOYSA-N- Molecular formula
- C40H48N4O6
- Average molar mass
- 680.8 g/mol
- Monoisotopic mass
- 680.35738526
Names & identifiers
- Preferred name
- 5-[Benzyl-[2-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]ethyl]amino]-2-(decanoylamino)-5-oxopentanoic acid
- IUPAC
- 5-[benzyl-[2-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]ethyl]amino]-2-(decanoylamino)-5-oxopentanoic acid
- English name
- SC-ALPHA ALPHA DELTA 9
- Molecular formula
- C40H48N4O6
- Molecular weight
- 680.83
Names & synonyms
219905-91-6NSC7012675-[benzyl-[2-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]ethyl]amino]-2-(decanoylamino)-5-oxopentanoic acidSCHEMBL5143863CHEMBL1985104DTXSID70327918NSC-701267NCI60_036396N-Benzyl-N~2~-decanoyl-N-[2-(2,5-diphenyl-1,3-oxazole-4-carboxamido)ethyl]glutamineSC-ALPHA ALPHA DELTA 9Glutamine, N-[2-[[(2,5-diphenyl-4-oxazolyl)carbonyl]amino]ethyl]-N2-(1-oxodecyl)-N-(phenylmethyl)-
Database identifiers
- CAS
219905-91-6- PubChem CID
- 396038
- DTXSID
DTXSID70327918- ChEMBL
CHEMBL1985104- Nikkaji
- J1.029.389H
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 16 mg/mL, · DMSO: 16 mg/mL, soluble
- form
- solid
- color
- white
- WGK Germany
- 3 · 3
- Toxicity
- 35 mg/kg · TDLo ipr-mus: 35 mg/kg JPETAB 292,530,2000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Toxicity
- TDLo ipr-mus: 35 mg/kg JPETAB 292,530,2000
Chemistry & industry
Suppliers2 total
SIGMA—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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