Basic information
- Standard SMILES
COCCCOC(c1ccccc1)C1CCCN(c2c(N[C@@H](CC3CCCCC3)[C@H](O)CN=[N+]=[N-])c(=O)c2=O)C1- InChIKey
SGHVALFAJUUHOD-SDUOVFMTSA-N- Molecular formula
- C30H43N5O5
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 553.32641949
Names & identifiers
- Preferred name
- 3-((2S,3R)-4-azido-1-cyclohexyl-3-hydroxybutan-2-ylamino)-4-(3-((3-methoxypropoxy)(phenyl)methyl)piperidin-1-yl)cyclobut-3-ene-1,2-dione
- IUPAC
- 3-[[(2S,3R)-4-azido-1-cyclohexyl-3-hydroxybutan-2-yl]amino]-4-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
Names & synonyms
SCHEMBL13787997SGHVALFAJUUHOD-SDUOVFMTSA-N3-((2S,3R)-4-azido-1-cyclohexyl-3-hydroxybutan-2-ylamino)-4-(3-((3-methoxypropoxy)(phenyl)methyl)piperidin-1-yl)cyclobut-3-ene-1,2-dione
Database identifiers
- PubChem CID
- 57786468
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 923
Related reactions
1 records
Compound notes
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