Basic information
- Standard SMILES
O=C(NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccc3ncc(-c4ccccc4)nc3c1)n2C1CCCCC1- InChIKey
VAVBSZURQPMLMR-UHFFFAOYSA-N- Molecular formula
- C39H34N6O4
- Average molar mass
- 650.7 g/mol
Names & identifiers
- Preferred name
- 2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
- IUPAC
- 2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
Names & synonyms
SCHEMBL4118196VAVBSZURQPMLMR-UHFFFAOYSA-N2-[[1-cyclohexyl-2-(3-phenylquinoxalin-6-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid2-{[1-cyclohexyl-2-(3-phenyl-quinoxalin-6-yl)-1h-benzoimidazole-5-carbonyl]-amino}-3-(5-hydroxy-1h-indol-3-yl)-propionic acidTryptophan, N-[[1-cyclohexyl-2-(3-phenyl-6-quinoxalinyl)-1H-benzimidazol-5-yl]carbonyl]-5-hydroxy-
Database identifiers
- PubChem CID
- 5276161
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
2 records
Compound notes
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