Basic information
- CAS
502960-90-9- Standard SMILES
CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1- InChIKey
RHJLQMVZXQKJKB-FPHSVDBKSA-N- Molecular formula
- C32H38N4O4S
- Average molar mass
- 574.7 g/mol
- Monoisotopic mass
- 574.26137688
Names & identifiers
- Preferred name
- K-777
- IUPAC
- N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]-4-methylpiperazine-1-carboxamide
Names & synonyms
K777K-7774-Methylpiperazine-1-carboxylic acid(1-((3-benzenesufonyl-1-phenethylallyl)carbamoyl)-2-phenylethyl)amideRefChem:1087913K 777N-((2S)-1-(((3S)-1-(benzenesulfonyl)-5-phenylpentan-3-yl)amino)-1-oxo-3-phenylpropan-2-yl)-4-methylpiperazine-1-carboxamide233277-99-1APC-3316K-11777CRA-3316502960-90-9APC3316
Show more names
CRA3316SLV-213K1177K-1177CHEMBL917044-Methyl-N-((S)-1-oxo-3-phenyl-1-(((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)amino)propan-2-yl)piperazine-1-carboxamide320A4L58IZSLV213
Database identifiers
- CAS
502960-90-9- PubChem CID
- 9851116
- ChEMBL
CHEMBL91704- UNII
- 320A4L58IZ
- Nikkaji
- J1.444.376B
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 939
Chemistry & industry
Pharmacology
Metabolism/MetabolitesK-11777 has known human metabolites that include b-hydroxy-homoPhe K11777, N-oxide k-11777, and N-desmethyl k-11777.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…