(2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)amino]pentanoic Acid 5-Methyl-2-oxo-[1,3]dioxol-4-ylmethyl Ester

HCID 86705142
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Basic information

Standard SMILES
Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1ccc2nnn(O)c2c1
InChIKey
MWDBADSEBCMENI-RCZVLFRGSA-N
Molecular formula
C29H25ClN4O8
Average molar mass
593 g/mol
Monoisotopic mass
592.1360915

Names & identifiers

Preferred name
(2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)amino]pentanoic Acid 5-Methyl-2-oxo-[1,3]dioxol-4-ylmethyl Ester
IUPAC
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-hydroxybenzotriazole-5-carbonyl)amino]pentanoate

Names & synonyms

SCHEMBL17011158MWDBADSEBCMENI-RCZVLFRGSA-N(2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-2-hydroxy-4-[(3-hydroxy-3H-benzotriazole-5-carbonyl)amino]pentanoic Acid 5-Methyl-2-oxo-[1,3]dioxol-4-ylmethyl Ester

Database identifiers

PubChem CID
86705142

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
162 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
11
Heavy atoms
42

Related reactions

1 records
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Compound notes

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