Basic information
- Standard SMILES
CC#C[C@H](O)[C@H](CNC(=O)OCc1ccccc1)NC(=O)CC(=O)OCc1ccccc1- InChIKey
SAXLGCFJTMAYIP-SFTDATJTSA-N- Molecular formula
- C24H26N2O6
- Average molar mass
- 438.5 g/mol
Names & identifiers
- Preferred name
- N-[(1S, 2S)-1-(benzyloxycarbonylamino-methyl)-2-hydroxy-pent-3-ynyl]-malonamic acid benzyl ester
- IUPAC
- benzyl 3-[[(2S,3S)-3-hydroxy-1-(phenylmethoxycarbonylamino)hex-4-yn-2-yl]amino]-3-oxopropanoate
Names & synonyms
SCHEMBL5035099SAXLGCFJTMAYIP-SFTDATJTSA-NN-[(1S, 2S)-1-(benzyloxycarbonylamino-methyl)-2-hydroxy-pent-3-ynyl]-malonamic acid benzyl esterN-[(1S,2S)-1-(benzyloxycarbonylamino-methyl)-2-hydroxy-pent-3-ynyl]-malonamic acid benzyl ester
Database identifiers
- PubChem CID
- 69287828
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 670
Related reactions
2 records
Compound notes
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