Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CN(CCc1ccncc1)C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N- InChIKey
RHEQWLDKMADTTO-CGWKKXNPSA-N- Molecular formula
- C39H47N5O3
- Average molar mass
- 633.8 g/mol
- Monoisotopic mass
- 633.36789038
Names & identifiers
- Preferred name
- (2E)-5-Amino-5-methylhex-2-enoic acid N-methyl-N-[(1R)-1-(N-methyl-N-{(1R)1-[N-methyl-(2-(4-pyridinyl)ethyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-(2-naphthyl)ethyl]amide
- IUPAC
- (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-[methyl(2-pyridin-4-ylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
Names & synonyms
SCHEMBL7169435RHEQWLDKMADTTO-CGWKKXNPSA-N(2E)-5-Amino-5-methylhex-2-enoic acid N-methyl-N-[(1R)-1-(N-methyl-N-{(1R)1-[N-methyl-(2-(4-pyridinyl)ethyl)carbamoyl]-2-phenylethyl}carbamoyl)-2-(2-naphthyl)ethyl]amide
Database identifiers
- PubChem CID
- 9852273
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
1 records
Compound notes
Loading…