Basic information
- Standard SMILES
CCCOC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)C1(CCCCN=[N+]=[N-])CCCC1- InChIKey
ZLIYMDUXEFMYSV-QHCPKHFHSA-N- Molecular formula
- C29H40N6O5
- Average molar mass
- 552.7 g/mol
Names & identifiers
- Preferred name
- (S)-2-[[1-(4-azidobutyl)cyclopentanecarbony]amino]-3-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl]propionic acid propyl ester
- IUPAC
- propyl (2S)-2-[[1-(4-azidobutyl)cyclopentanecarbonyl]amino]-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propanoate
Names & synonyms
SCHEMBL15149423ZLIYMDUXEFMYSV-QHCPKHFHSA-N(S)-2-[[1-(4-azidobutyl)cyclopentanecarbony]amino]-3-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl]propionic acid propyl ester(S)-2-[[1-(4-azidobutyl)cyclopentanecarbonyl]amino]-3-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)phenyl]propionic acid propyl ester
Database identifiers
- PubChem CID
- 89720754
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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