Basic information
- Standard SMILES
CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(CC1CCCCC1)C(O)C(O)C1CC1- InChIKey
UXIGZRQVLGFTOU-UHFFFAOYSA-N- Molecular formula
- C33H50N4O6S
- Average molar mass
- 630.8 g/mol
- Monoisotopic mass
- 630.3451065
Names & identifiers
- Preferred name
- N-(1-Cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)-Nalpha-{2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl}histidinamide
- IUPAC
- 2-benzyl-3-tert-butylsulfonyl-N-[1-[(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide
Names & synonyms
Ro 42-5892; Ro 42-5892/001CHEMBL1783187SCHEMBL22263508DTXSID40869734BFA22234N-(1-Cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)-Nalpha-{2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl}histidinamide
Database identifiers
- PubChem CID
- 5230731
- DTXSID
DTXSID40869734- ChEMBL
CHEMBL1783187
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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