Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccc2c(c1)N(CC(=O)c1ccccc1C)C(=O)C(NC(=O)Nc1cccc(C(=O)O)c1)CN2C(=O)OCc1ccccc1- InChIKey
ZQLUVZOWAPEGJF-UHFFFAOYSA-N- Molecular formula
- C35H32N4O7
- Average molar mass
- 620.6 g/mol
- Monoisotopic mass
- 620.22709937
Names & identifiers
- Preferred name
- 3-[3-[1-(2-toluoylmethyl)-2-oxo-5-benzyloxycarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid
- IUPAC
- 3-[[7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-phenylmethoxycarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Names & synonyms
SCHEMBL6178904ZQLUVZOWAPEGJF-UHFFFAOYSA-N3-[3-[1-(2-toluoylmethyl)-2-oxo-5-benzyloxycarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-3-yl]ureido]benzoic acid
Database identifiers
- PubChem CID
- 21202001
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
2 records
Compound notes
Loading…