Basic information
- Standard SMILES
CC(C)Cc1c(C(=O)N[C@H](C(=O)NC(CC(=O)O)C(=O)COc2ccc(F)cc2)C(C)C)n(C)c2ccccc12- InChIKey
HFINLNQDGZTSHF-JVHFYALYSA-N- Molecular formula
- C30H36FN3O6
- Average molar mass
- 553.6 g/mol
Names & identifiers
- Preferred name
- N-[(1-methyl-3-isobutyl-indole-2-cabonyl)valinyl]-3-amino-4-oxo-5-(4-fluorophenyloxy)-pentanoic Acid
- IUPAC
- 5-(4-fluorophenoxy)-3-[[(2S)-3-methyl-2-[[1-methyl-3-(2-methylpropyl)indole-2-carbonyl]amino]butanoyl]amino]-4-oxopentanoic acid
Names & synonyms
SCHEMBL7204052HFINLNQDGZTSHF-JVHFYALYSA-NN-[(1-methyl-3-isobutyl-indole-2-cabonyl)valinyl]-3-amino-4-oxo-5-(4-fluorophenyloxy)-pentanoic AcidN-[(1-methyl-3-isobutyl-indole-2-carbonyl)valinyl]-3-amino-4-oxo-5-(4-fluorophenyloxy)-pentanoic acid
Database identifiers
- PubChem CID
- 20639713
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 891
Related reactions
2 records
Compound notes
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