Basic information
- Standard SMILES
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@@H](N)CC(C)C)C(=O)OC(C)(C)C)[C@@H](O)[C@H]3O)c2=O)cc1- InChIKey
GBWUIAXBZNFBGW-LJHDNRTISA-N- Molecular formula
- C32H49N5O10
- Average molar mass
- 663.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2S,3R)-2-[(3-{[(2S)-2-amino-4-methylpentanoyl]amino}propyl)amino]-3-[(3S,4R,5R)-3,4-dihydroxy-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]-3-hydroxypropanoate
- IUPAC
- tert-butyl (2S,3R)-2-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propylamino]-3-[(3S,4R,5R)-3,4-dihydroxy-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]-3-hydroxypropanoate
Names & synonyms
GBWUIAXBZNFBGW-LJHDNRTISA-Ntert-butyl (2S,3R)-2-[(3-{[(2S)-2-amino-4-methylpentanoyl]amino}propyl)amino]-3-[(3S,4R,5R)-3,4-dihydroxy-5-(3-(4-methoxybenzyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]-3-hydroxypropanoate
Database identifiers
- PubChem CID
- 10233418
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 213 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
1 records
Compound notes
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