Basic information
- Standard SMILES
CNN(Cc1ccc2nc(CO)[nH]c(=O)c2c1)[C@@](CCC(=O)O)(C(=O)O)C(=O)c1cccs1- InChIKey
RUODYDHFPDNESG-OAQYLSRUSA-N- Molecular formula
- C21H22N4O7S
- Average molar mass
- 474.5 g/mol
Names & identifiers
- Preferred name
- N-(3,4-dihydro-2-hydroxymethyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino-2-thenoyl-L-glutamic acid
- IUPAC
- (2R)-2-[[2-(hydroxymethyl)-4-oxo-3H-quinazolin-6-yl]methyl-(methylamino)amino]-2-(thiophene-2-carbonyl)pentanedioic acid
Names & synonyms
RUODYDHFPDNESG-OAQYLSRUSA-NN-(3,4-dihydro-2-hydroxymethyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino-2-thenoyl-L-glutamic acid
Database identifiers
- PubChem CID
- 136403333
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 822
Related reactions
1 records
Compound notes
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