L-Valinamide, N,3-dimethyl-L-valyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl]-N,3-dimethyl-
Basic information
- CAS
228266-42-0- Standard SMILES
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C- InChIKey
KLORAOGGZZEIGS-JDRICQGSSA-N- Molecular formula
- C22H41N3O4
- Average molar mass
- 411.6 g/mol
- Monoisotopic mass
- 411.3097068
Names & identifiers
- Preferred name
- L-Valinamide, N,3-dimethyl-L-valyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl]-N,3-dimethyl-
- IUPAC
- (E,4S)-4-[[(2S)-2-[[(2S)-3,3-dimethyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Names & synonyms
SCHEMBL58085CHEMBL362764DTXSID701115172228266-42-0L-Valinamide, N,3-dimethyl-L-valyl-N-[(1S,2E)-3-carboxy-1-(1-methylethyl)-2-butenyl]-N,3-dimethyl-N,3-Dimethyl-L-valyl-N-[(3S,4E)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide
Database identifiers
- CAS
228266-42-0- PubChem CID
- 9844516
- DTXSID
DTXSID701115172- ChEMBL
CHEMBL362764
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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