(2S)-2-[[(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-3-phenylpropanoyl]amino]-3-methylbutanamide
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Basic information
- CAS
93936-27-7- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C=Cc1ccco1)C(N)=O- InChIKey
MOIXOFBAXPHGFF-HKUYNNGSSA-N- Molecular formula
- C21H25N3O4
- Average molar mass
- 383.4 g/mol
Names & identifiers
- Preferred name
- (2S)-2-[[(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-3-phenylpropanoyl]amino]-3-methylbutanamide
- IUPAC
- (2S)-2-[[(2S)-2-[3-(furan-2-yl)prop-2-enoylamino]-3-phenylpropanoyl]amino]-3-methylbutanamide
- English name
- Fa-Phe-Val-NH2
- Molecular formula
- C21H25N3O4
- Molecular weight
- 383.44
Names & synonyms
FA-FV-NH2Fa-Phe-Val-NH23-(2-FURYL)ACRYLOYL-FA-PHE-VAL-NH2Furylacryloyl-L-phenylalanyl-L-valinamideL-Valinamide, N-[3-(2-furanyl)-1-oxo-2-propenyl]-L-phenylalanyl-L-Valinamide, N-[3-(2-furanyl)-1-oxo-2-propenyl]-L-phenylalanyl- (9CI)
Database identifiers
- CAS
93936-27-7
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Boiling point
- 718.6 · 718.6±60.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 13.23 · 13.23±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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