2-[3-(3-amino-3-oxopropyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
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Basic information
- Standard SMILES
NC(=O)CCC1N=C(c2cccc(O)c2)c2ccccc2N(CC(=O)O)C1=O- InChIKey
SFKZRRQMZAAJHW-UHFFFAOYSA-N- Molecular formula
- C20H19N3O5
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.13247072
Names & identifiers
- Preferred name
- 2-[3-(3-amino-3-oxopropyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
- IUPAC
- 2-[3-(3-amino-3-oxopropyl)-5-(3-hydroxyphenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid
Names & synonyms
NSC691352NSC-691352
Database identifiers
- PubChem CID
- 391767
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 650
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Compound notes
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