Basic information
- Standard SMILES
O=C(O)CCNC(=O)c1ncc2cc(NC(=O)Nc3ccccc3)ccc2c1O- InChIKey
VNDPTXLBKNLABX-UHFFFAOYSA-N- Molecular formula
- C20H18N4O5
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 3-{[4-Hydroxy-7-(3-phenyl-ureido)-isoquinoline-3-carbonyl]amino}-propionic acid
- IUPAC
- 3-[[4-hydroxy-7-(phenylcarbamoylamino)isoquinoline-3-carbonyl]amino]propanoic acid
Names & synonyms
CHEMBL3900121SCHEMBL15268534VNDPTXLBKNLABX-UHFFFAOYSA-NBDBM241021US9409892, 1163-{[4-Hydroxy-7-(3-phenyl-ureido)-isoquinoline-3-carbonyl]amino}-propionic acid
Database identifiers
- PubChem CID
- 89812901
- ChEMBL
CHEMBL3900121
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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