Basic information
- Standard SMILES
COCCCn1ncc2ccc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CN)C(C)C)cc21- InChIKey
ZHFCJJTYINTDEC-FUDKSRODSA-N- Molecular formula
- C25H42N4O4
- Average molar mass
- 462.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2S,3S,5S)-1-amino-2-hydroxy-5-((1-(3-methoxypropyl)-1H-indazol-6-yl)methyl)-6-methylheptan-3-ylcarbamate
- IUPAC
- tert-butyl N-[(2S,3S,5S)-1-amino-2-hydroxy-5-[[1-(3-methoxypropyl)indazol-6-yl]methyl]-6-methylheptan-3-yl]carbamate
Names & synonyms
SCHEMBL12053964ZHFCJJTYINTDEC-FUDKSRODSA-Ntert-butyl (2S,3S,5S)-1-amino-2-hydroxy-5-((1-(3-methoxypropyl)-1H-indazol-6-yl)methyl)-6-methylheptan-3-ylcarbamate
Database identifiers
- PubChem CID
- 59630989
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 583
Related reactions
1 records
Compound notes
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