Ulongamide E
Basic information
- Standard SMILES
CCC[C@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C- InChIKey
WTSNBJFZSIXNHV-QPJFRRSWSA-N- Molecular formula
- C35H51N5O7S
- Average molar mass
- 685.9 g/mol
- Monoisotopic mass
- 685.35092016
Overview
Ulongamide E is a cyclodepsipeptide.
Names & identifiers
- Preferred name
- Ulongamide E
- IUPAC
- (2S,5S,8S,11S,14S,15R)-11-[(2S)-butan-2-yl]-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Names & synonyms
Ulongamide ECHEBI:211782(2S,5S,8S,11S,14S,15R)-11-[(2S)-butan-2-yl]-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5-propan-2-yl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Database identifiers
- PubChem CID
- 11050722
- DTXSID
DTXSID001236351- ChEMBL
CHEMBL503947- ChEBI
CHEBI:211782
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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