(2R,4R)-5-(4-Bromophenyl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)-amino]-pentanoic Acid Ethyl Ester

HCID 67969686

Basic information

Standard SMILES
CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccc2nnn(O)c2c1
InChIKey
GXVJJXAPRWHGTB-CRAIPNDOSA-N
Molecular formula
C20H21BrN4O5
Average molar mass
477.3 g/mol
Monoisotopic mass
476.06953

Names & identifiers

Preferred name
(2R,4R)-5-(4-Bromophenyl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)-amino]-pentanoic Acid Ethyl Ester
IUPAC
ethyl (2R,4R)-5-(4-bromophenyl)-2-hydroxy-4-[(3-hydroxybenzotriazole-5-carbonyl)amino]pentanoate

Names & synonyms

SCHEMBL9930031GXVJJXAPRWHGTB-CRAIPNDOSA-N(2R,4R)-5-(4-Bromophenyl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)-amino]-pentanoic Acid Ethyl Ester

Database identifiers

PubChem CID
67969686

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
127 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

Related reactions

3 records

Compound notes

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