(E)-N-[(2R)-1-[[(2R)-1-acetamido-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-amino-N,5-dimethylhex-2-enamide
Basic information
- CAS
193086-85-0- Standard SMILES
CC(=O)NC[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N- InChIKey
WOERYDDSYYVQDM-REDGVPLNSA-N- Molecular formula
- C33H42N4O3
- Average molar mass
- 542.7 g/mol
- Monoisotopic mass
- 542.32569121
Names & identifiers
- Preferred name
- (E)-N-[(2R)-1-[[(2R)-1-acetamido-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-amino-N,5-dimethylhex-2-enamide
- IUPAC
- (E)-N-[(2R)-1-[[(2R)-1-acetamido-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-amino-N,5-dimethylhex-2-enamide
Names & synonyms
CHEMBL26004SCHEMBL6327147DTXSID601100809193086-85-0(I+/-R)-N-[(1R)-1-[(Acetylamino)methyl]-2-phenylethyl]-I+/--[[(2E)-5-amino-5-methyl-1-oxo-2-hexen-1-yl]methylamino]-N-methyl-2-naphthalenepropanamide
Database identifiers
- CAS
193086-85-0- PubChem CID
- 44459409
- DTXSID
DTXSID601100809- ChEMBL
CHEMBL26004- Nikkaji
- J1.097.930G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 866
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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