Methyl (11S,12S,17S)-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Basic information
- CAS
38681-90-2- Standard SMILES
COC(=O)C1=C2Nc3ccccc3C23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23- InChIKey
DWLJVOJBWLYMJO-CZGIKHJPSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Names & identifiers
- Preferred name
- Methyl (11S,12S,17S)-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
- IUPAC
- methyl (11S,12S,17S)-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Names & synonyms
Methyl (11S,12S,17S)-12-[(1S)-1-hydroxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylateEchitamidinUNII-8V48NUF3JX
Database identifiers
- CAS
38681-90-2- PubChem CID
- 190982
- Nikkaji
- J16.546H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 632
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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