Basic information
- Standard SMILES
C[C@@H](NC(=O)C(O)[C@H](CCCCNC(=O)N1CCOCC1)NC(=O)OC(C)(C)C)c1ccccc1- InChIKey
AVKCAFQFABCDBO-LGWYJFNUSA-N- Molecular formula
- C25H40N4O6
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.29478501
Names & identifiers
- Preferred name
- tert-butyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-5-[(4-morpholinylcarbonyl)amino]pentylcarbamate
- IUPAC
- tert-butyl N-[(3S)-2-hydroxy-7-(morpholine-4-carbonylamino)-1-oxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Names & synonyms
SCHEMBL14260206AVKCAFQFABCDBO-LGWYJFNUSA-Ntert-butyl (1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-5-[(4-morpholinylcarbonyl)amino]pentylcarbamatetert-butyl(1S)-1-(1-hydroxy-2-oxo-2-{[(1R)-1-phenylethyl]amino}ethyl)-5-[(4-morpholinylcarbonyl)amino]pentylcarbamate
Database identifiers
- PubChem CID
- 58979673
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 671
Related reactions
2 records
Compound notes
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